Details of the Drug Formulation (DFM)

General Information of DFM (ID: F02846)
Name
Bupropion 100 mg tablet
Company
RemedyRepack
Active Pharmaceutical Ingredient (API) Bupropion API Info click to show the detail info of this API
Nicotine dependence ICD-11: 6C4A Approved
Drug Inactive Ingredient (DIGs)
DIG ID DIG Info DIG Name DIG Functional Class
E01OUP DIG Info Allura red AC dye Colorant
E0L3MB DIG Info FD&C blue no. 2 Colorant
E0E7UZ DIG Info Glutamic acid hydrochloride Acidulant
E01UTP DIG Info Magnesium stearate lubricant
E0G0VL DIG Info Maleic acid Acidulant ...
E0PC2L DIG Info Polyethylene glycol 400 Coating agent ...
E09BYS DIG Info Polyethylene glycol 6000 Coating agent ...
E01UTV DIG Info Silicon dioxide Anticaking agent ...
E0L0MR DIG Info Sunset yellow FCF Colorant
E0QY1F DIG Info Talc Anticaking agent ...
E05BSD DIG Info Titanium dioxide Coating agent ...
Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
      G-protein coupled receptor (GPCR)
            DBT Name: Adenosine receptor A3 (AA3R) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG FD&C blue no. 2
                    Biological Activity IC50 = 1 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID AA3R_HUMAN
            DBT Name: Glutamate receptor mGLU1 (mGluR1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 250 nM (estimated based on the structural similarity with CHEMBL575060 ) [2]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRM1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 340 nM (estimated based on the structural similarity with CHEMBL575060 ) [3]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRM1_RAT
            DBT Name: Glutamate receptor mGLU2 (mGluR2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity EC50 = 290 nM (estimated based on the structural similarity with CHEMBL575060 ) [4]
                    Structural Similarity Tanimoto coefficient = 0.979166667
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRM2_HUMAN
            DBT Name: Glutamate receptor mGLU3 (mGluR3) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 57.54 nM (estimated based on the structural similarity with CHEMBL575060 ) [5]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRM3_HUMAN
            DBT Name: Glutamate receptor mGLU4 (mGluR4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 1400 nM (estimated based on the structural similarity with CHEMBL575060 ) [6]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRM4_HUMAN
            DBT Name: Glutamate receptor mGLU5 (mGluR5) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 390 nM (estimated based on the structural similarity with CHEMBL575060 ) [2]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRM5_HUMAN
            DBT Name: Glutamate receptor mGLU6 (mGluR6) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity EC50 = 4900 nM (estimated based on the structural similarity with CHEMBL575060 ) [4]
                    Structural Similarity Tanimoto coefficient = 0.979166667
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRM6_HUMAN
            DBT Name: Glutamate receptor mGLU7 (mGluR7) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity EC50 > 100000 nM (estimated based on the structural similarity with CHEMBL575060 ) [7]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRM7_RAT
            DBT Name: Glutamate receptor mGLU8 (mGluR8) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 5.7 nM (estimated based on the structural similarity with CHEMBL575060 ) [8]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRM8_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 3400 nM (estimated based on the structural similarity with CHEMBL575060 ) [9]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRM8_RAT
            DBT Name: Serotonin receptor 1A (5HT1A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 19 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID 5HT1A_HUMAN
            DBT Name: Dopamine D1 receptor (DRD1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 29 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DRD1_HUMAN
      Oxidoreductase (ORase)
            DBT Name: D-amino acid oxidase (DAAO) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Maleic acid
                    Biological Activity IC50 = 357000 nM (estimated based on the structural similarity with CHEMBL1213528 ) [10]
                    Structural Similarity Tanimoto coefficient = 0.911764706
                    Tested Species Homo sapiens (Human)
                    UniProt ID OXDA_HUMAN
            DBT Name: Glutathione reductase (GSR) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 42700 nM (estimated based on the structural similarity with CHEMBL575060 ) [11]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GSHR_HUMAN
            DBT Name: Monoamine oxidase A (MAO-A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG FD&C blue no. 2
                    Biological Activity IC50 > 3 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID AOFA_HUMAN
            DBT Name: Prostaglandin G/H synthase 2 (COX-2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 26 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PGH2_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG FD&C blue no. 2
                    Biological Activity IC50 = 24 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PGH2_HUMAN
            DBT Name: Albendazole monooxygenase (CYP3A4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Magnesium stearate
                    Biological Activity Protein expression downregulation (tested by experiment) [12]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 400
                    Biological Activity IC50 = 10.77 mg.mL-1 (tested by experiment) [13]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 6000
                    Biological Activity Inhibition ratio < 70 % (tested by experiment) [13]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Silicon dioxide
                    Biological Activity Protein expression downregulation (tested by experiment) [12]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
      Transferase (TFase)
            DBT Name: ATP-citrate synthase (ACLY) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 300000 nM (estimated based on the structural similarity with CHEMBL575060 ) [14]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID ACLY_RAT
            DBT Name: VEGF-2 receptor (KDR) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG FD&C blue no. 2
                    Biological Activity IC50 = 3.1 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID VGFR2_HUMAN
      Hydrolase (HDase)
            DBT Name: Acetylcholinesterase (ACHE) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 > 10 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ACES_HUMAN
            DBT Name: Glutamate carboxypeptidase II (FOLH1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 428000 nM (estimated based on the structural similarity with CHEMBL575060 ) [15]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID FOLH1_HUMAN
            DBT Name: Protein-tyrosine phosphatase 1D (PTPN11) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG FD&C blue no. 2
                    Biological Activity IC50 = 7940 nM (estimated based on the structural similarity with CHEMBL3692077 ) [16]
                    Structural Similarity Tanimoto coefficient = 0.822222222
                    Tested Species Homo sapiens (Human)
                    UniProt ID PTN11_HUMAN
            DBT Name: Protein-tyrosine phosphatase 1B (PTPN1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 33000 nM (tested by experiment) [17]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PTN1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 410000 nM (tested by experiment) [17]
                    Tested Species Saccharomyces cerevisiae (Yeast)
                    UniProt ID PTP1_YEAST
            DBT Name: Phosphodiesterase 3A (PDE3A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 17 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PDE3A_HUMAN
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Cytochrome P450 2J2 (CYP2J2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 51 nM (estimated based on the structural similarity with CHEMBL575060 ) [18]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID EAA3_HUMAN
      Primary active transporter (PAT)
            DBT Name: Multidrug resistance protein 2 (ABCC2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 400
                    Biological Activity Inhibition ratio = 67 % (tested by experiment) [19]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP2_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 400
                    Biological Activity Inhibition ratio > 73 % (tested by experiment) [20]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP2_HUMAN
            DBT Name: Multidrug resistance protein 1 (ABCB1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 400
                    Biological Activity Inhibition ratio = 28 % (tested by experiment) [21]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 400
                    Biological Activity Inhibition ratio = 64 % (tested by experiment) [22]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Glutamate/aspartate transporter 1 (GLAST1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 11000 nM (estimated based on the structural similarity with CHEMBL575060 ) [23]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID EAA1_HUMAN
            DBT Name: Glutamate/aspartate transporter 2 (GLT1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 52000 nM (estimated based on the structural similarity with CHEMBL575060 ) [23]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID EAA2_HUMAN
            DBT Name: Excitatory amino-acid carrier 1 (EAAC1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 51 nM (estimated based on the structural similarity with CHEMBL575060 ) [18]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID EAA3_HUMAN
            DBT Name: Solute carrier SLC1A6 (EAAT4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 13000 nM (estimated based on the structural similarity with CHEMBL575060 ) [23]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID EAA4_RAT
            DBT Name: Solute carrier SLCO2B1 (OATPB) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Sunset yellow FCF
                    Biological Activity Inhibition ratio = 54.5 % (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Sunset yellow FCF
                    Biological Activity Ki = 68.4 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Sunset yellow FCF
                    Biological Activity Ki = 74 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity Inhibition ratio = 96.52 % (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (5) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity Ki = 2.59 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (6) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity Ki = 4.7 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (7) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG FD&C blue no. 2
                    Biological Activity Inhibition ratio = 26 % (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
            DBT Name: Solute carrier SLCO1A2 (OATP-A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 400
                    Biological Activity IC50 = 0.14 %(w/v) (tested by experiment) [25]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO1A2_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Polyethylene glycol 400
                    Biological Activity IC50 = 0.05 %(w/v) (tested by experiment) [25]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO1A2_HUMAN
      Transmembrane channel/porin (TC/P)
            DBT Name: Glutamate receptor NMDA (GRIN) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 70 nM (estimated based on the structural similarity with CHEMBL575060 ) [26]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID NMDZ1_HUMAN ; NMDE1_HUMAN ; NMDE2_HUMAN ; NMDE3_HUMAN ; NMDE4_HUMAN ; NMD3A_HUMAN ; NMD3B_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 69 nM (estimated based on the structural similarity with CHEMBL575060 ) [27]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID NMDZ1_RAT ; NMDE1_RAT ; NMDE2_RAT ; NMDE3_RAT ; NMDE4_RAT ; NMD3A_RAT ; NMD3B_RAT
            DBT Name: GluA1-GluA2 complex (GRIA1-GRIA2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity EC50 = 6160 nM (estimated based on the structural similarity with CHEMBL575060 ) [28]
                    Structural Similarity Tanimoto coefficient = 0.979166667
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRIA1_HUMAN ; GRIA2_HUMAN
            DBT Name: Glutamate receptor AMPA 3 (GRIA3) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 249 nM (estimated based on the structural similarity with CHEMBL575060 ) [29]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRIA3_RAT
            DBT Name: Glutamate receptor AMPA 4 (GRIA4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 354 nM (estimated based on the structural similarity with CHEMBL575060 ) [29]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRIA4_RAT
            DBT Name: Glutamate receptor AMPA 1 (GRIA1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 1360 nM (estimated based on the structural similarity with CHEMBL575060 ) [30]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRIA1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 169 nM (estimated based on the structural similarity with CHEMBL575060 ) [29]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRIA1_RAT
            DBT Name: Glutamate receptor AMPA 2 (GRIA2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 940 nM (estimated based on the structural similarity with CHEMBL575060 ) [30]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRIA2_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 280 nM (estimated based on the structural similarity with CHEMBL575060 ) [31]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRIA2_RAT
            DBT Name: Glutamate receptor kainate 5 (GRIK5) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 701 nM (estimated based on the structural similarity with CHEMBL575060 ) [30]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRIK5_HUMAN
            DBT Name: Glutamate receptor (GRIA) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity IC50 = 613 nM (estimated based on the structural similarity with CHEMBL575060 ) [32]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRIA1_HUMAN ; GRIA2_HUMAN ; GRIA3_HUMAN ; GRIA4_HUMAN
            DBT Name: Glutamate receptor kainate 1 (GRIK1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 138.04 nM (estimated based on the structural similarity with CHEMBL575060 ) [33]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRIK1_RAT
            DBT Name: Glutamate receptor kainate 2 (GRIK2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 1106 nM (estimated based on the structural similarity with CHEMBL575060 ) [34]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID GRIK2_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 330 nM (estimated based on the structural similarity with CHEMBL575060 ) [31]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRIK2_RAT
            DBT Name: Glutamate receptor kainate 3 (GRIK3) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Glutamic acid hydrochloride
                    Biological Activity Ki = 489.78 nM (estimated based on the structural similarity with CHEMBL575060 ) [33]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID GRIK3_RAT
            DBT Name: GABA(A) receptor alpha-1 (GABRA1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 22 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID GBRA1_HUMAN
      Nuclear receptor (NR)
            DBT Name: Androgen receptor (AR) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 28 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ANDR_HUMAN
            DBT Name: Estrogen receptor alpha (ESR1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 15 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ESR1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG FD&C blue no. 2
                    Biological Activity IC50 > 10 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ESR1_HUMAN
            DBT Name: Progesterone receptor (PGR) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity IC50 = 30 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PRGR_HUMAN
      Other protein families (OPF)
            DBT Name: Thrombopoietin receptor (MPL) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Sunset yellow FCF
                    Biological Activity EC50 = 3000 nM (estimated based on the structural similarity with CHEMBL122867 ) [35]
                    Structural Similarity Tanimoto coefficient = 0.93081761
                    Tested Species Homo sapiens (Human)
                    UniProt ID TPOR_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Allura red AC dye
                    Biological Activity EC50 = 300 nM (estimated based on the structural similarity with CHEMBL123373 ) [35]
                    Structural Similarity Tanimoto coefficient = 0.925714286
                    Tested Species Homo sapiens (Human)
                    UniProt ID TPOR_HUMAN
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10 Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro. J Med Chem. 2013 Mar 14; 56(5):1894-907.
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14 ATP citrate lyase (ACLY) inhibitors: An anti-cancer strategy at the crossroads of glucose and lipid metabolism. Eur J Med Chem. 2018 Sep 5; 157:1276-1291.
15 Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. J Med Chem. 2007 Jul 12; 50(14):3267-73.
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18 Chemo-enzymatic synthesis of (2S,4R)-2-amino-4-(3-(2,2-diphenylethylamino)-3-oxopropyl)pentanedioic acid: a novel selective inhibitor of human excitatory amino acid transporter subtype 2. J Med Chem. 2008 Jul 24; 51(14):4085-92.
19 Inhibition of human efflux transporter ABCC2 (MRP2) by self-emulsifying drug delivery system: influences of concentration and combination of excipients. J Pharm Pharm Sci. 2014;17(4):447-60.
20 Interactions between human multidrug resistance related protein (MRP2; ABCC2) and excipients commonly used in self-emulsifying drug delivery systems (SEDDS). Int J Pharm. 2013 Apr 15;447(1-2):192-8.
21 The effect of polyoxyethylene polymers on the transport of ranitidine in Caco-2 cell monolayers. Int J Pharm. 2011 May 16;409(1-2):164-8.
22 Modulation of intestinal P-glycoprotein function by polyethylene glycols and their derivatives by in vitro transport and in situ absorption studies. Int J Pharm. 2006 Apr 26;313(1-2):49-56.
23 Chemoenzymatic Synthesis and Pharmacological Characterization of Functionalized Aspartate Analogues As Novel Excitatory Amino Acid Transporter Inhibitors. J Med Chem. 2018 Sep 13; 61(17):7741-7753.
24 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
25 Pharmaceutical excipients influence the function of human uptake transporting proteins. Mol Pharm. 2012 Sep 4;9(9):2577-81.
26 Synopsis of some recent tactical application of bioisosteres in drug design. J Med Chem. 2011 Apr 28; 54(8):2529-91.
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33 Chemo-enzymatic synthesis of a series of 2,4-syn-functionalized (S)-glutamate analogues: new insight into the structure-activity relation of ionotropic glutamate receptor subtypes 5, 6, and 7. J Med Chem. 2008 Jul 24; 51(14):4093-103.
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