Details of the Drug Formulation (DFM)
General Information of DFM (ID: F23529) | |||||
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Name |
Raltegravir Potassium eq 25mg base Chewable tablet
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Company |
Merck Sharp Dohme
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Active Pharmaceutical Ingredient (API) | Raltegravir |
API Info
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Human immunodeficiency virus infection | ICD-11: 1C60 | Approved | |||
Drug Inactive Ingredient (DIGs) | |||||
DIG ID | DIG Info | DIG Name | DIG Functional Class | ||
E01ILZ | DIG Info | Ammonium hydroxide | Alkalizing agent | ||
E0PE9M | DIG Info | Crospovidone | Disintegrant | ||
E0DK9Q | DIG Info | Ethyl cellulose | Coating agent ... | ||
E02AWG | DIG Info | Fructose | Flavoring agent | ||
E0L1TV | DIG Info | Haematite red | Colorant | ||
E0J4OX | DIG Info | Hydroxypropyl cellulose | Binding agent ... | ||
E0T4YW | DIG Info | Hypromellose | Coating agent | ||
E01UTP | DIG Info | Magnesium stearate | lubricant | ||
E0Q6DQ | DIG Info | Mannitol | Diluent ... | ||
E0X2OX | DIG Info | Medium-chain triglyceride | Emollient ... | ||
E0FU3S | DIG Info | Monoammonium glycyrrhizate | Emulsifying agent ... | ||
E0R0WE | DIG Info | Oleic acid | Emulsifying agent ... | ||
E0PC2L | DIG Info | Polyethylene glycol 400 | Coating agent ... | ||
E04NIZ | DIG Info | Saccharin sodium anhydrous | Flavoring agent | ||
E0NY5F | DIG Info | Sodium citrate dihydrate | Alkalizing agent ... | ||
E0RS6F | DIG Info | Sodium stearyl fumarate | lubricant | ||
E0G5FT | DIG Info | Sorbitan tristearate | Dispersing agent ... | ||
E04KTP | DIG Info | Sucralose | Flavoring agent | ||
Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM | ||||||
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G-protein coupled receptor (GPCR) | ||||||
DBT Name: Adenosine receptor A3 (AA3R) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 12 uM (tested by experiment) | [1] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | AA3R_HUMAN | |||||
DBT Name: Muscarinic receptor M1 (ACM1) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 13 uM (tested by experiment) | [1] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | ACM1_HUMAN | |||||
DBT Name: Thromboxane A2 receptor (TBXA2R) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 25 uM (tested by experiment) | [1] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | TA2R_HUMAN | |||||
Oxidoreductase (ORase) | ||||||
DBT Name: Aromatase (ARO1) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 32700 nM (tested by experiment) | [2] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP19A_HUMAN | |||||
DBT Name: Dehydrogenase/reductase 9C 3 (11-DH2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Monoammonium glycyrrhizate | |||||
Biological Activity | IC50 = 0.4 nM (estimated based on the structural similarity with CHEMBL441687 ) | [3] | ||||
Structural Similarity | Tanimoto coefficient = 0.982905983 | |||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | DHI2_HUMAN | |||||
DBT Name: Dehydrogenase/reductase 26C 1 (11-DH) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Monoammonium glycyrrhizate | |||||
Biological Activity | EC50 = 10 nM (estimated based on the structural similarity with CHEMBL441687 ) | [4] | ||||
Structural Similarity | Tanimoto coefficient = 0.982905983 | |||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | DHI1_HUMAN | |||||
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Monoammonium glycyrrhizate | |||||
Biological Activity | EC50 = 8 nM (estimated based on the structural similarity with CHEMBL441687 ) | [4] | ||||
Structural Similarity | Tanimoto coefficient = 0.982905983 | |||||
Tested Species | Mus musculus (Mouse) | |||||
UniProt ID | DHI1_MOUSE | |||||
DBT Name: Prostaglandin G/H synthase 1 (COX-1) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 > 500000 nM (tested by experiment) | [5] | ||||
Tested Species | Bos taurus (Bovine) | |||||
UniProt ID | PGH1_BOVIN | |||||
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 6.7 uM (tested by experiment) | [1] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | PGH1_HUMAN | |||||
DBT Name: Prostaglandin G/H synthase 2 (COX-2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 > 500000 nM (tested by experiment) | [5] | ||||
Tested Species | Ovis aries (Sheep) | |||||
UniProt ID | PGH2_SHEEP | |||||
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 3.5 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
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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) | [6] | ||||
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 | Oleic acid | |||||
Biological Activity | Inhibition ratio < 20 % (tested by experiment) | [7] | ||||
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 | Crospovidone | |||||
Biological Activity | Protein expression downregulation (tested by experiment) | [6] | ||||
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 | Hypromellose | |||||
Biological Activity | Protein expression upregulation (tested by experiment) | [6] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP3A4_HUMAN | |||||
Experiment (5) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | Protein expression downregulation (tested by experiment) | [6] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP3A4_HUMAN | |||||
Experiment (6) 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) | [7] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP3A4_HUMAN | |||||
DBT Name: Cytochrome P450 2E1 (CYP2E1) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | IC50 = 253.5 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP2E1_HUMAN | |||||
DBT Name: Mephenytoin 4-hydroxylase (CYP2C19) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hydroxypropyl cellulose | |||||
Biological Activity | EC50 = 89.5 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP2CJ_HUMAN | |||||
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | EC50 = 211.8 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP2CJ_HUMAN | |||||
DBT Name: Debrisoquine 4-hydroxylase (CYP2D6) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hydroxypropyl cellulose | |||||
Biological Activity | EC50 = 148.3 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP2D6_HUMAN | |||||
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | EC50 = 159.3 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP2D6_HUMAN | |||||
DBT Name: Cytochrome P450 3A5 (CYP3A5) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | IC50 = 19.4 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP3A5_HUMAN | |||||
Transferase (TFase) | ||||||
DBT Name: Telomerase reverse transcriptase (TERT) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 8600 nM (tested by experiment) | [9] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | TERT_HUMAN | |||||
Hydrolase (HDase) | ||||||
DBT Name: Proconvertin-TF complex (F7-F3) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 80000 nM (tested by experiment) | [10] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | FA7_HUMAN ; TF_HUMAN | |||||
DBT Name: Trypsin (PRSS) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 > 200000 nM (tested by experiment) | [10] | ||||
Tested Species | Sus scrofa (Pig) | |||||
UniProt ID | TRYP_PIG | |||||
Lyase/isomerase/ligase (L/I/G) | ||||||
DBT Name: Carbonic anhydrase I (CA1) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Saccharin sodium anhydrous | |||||
Biological Activity | Ki = 18540 nM (estimated based on the structural similarity with CHEMBL310671 ) | [11] | ||||
Structural Similarity | Tanimoto coefficient = 0.970873786 | |||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CAH1_HUMAN | |||||
DBT Name: Carbonic anhydrase II (CA2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Sucralose | |||||
Biological Activity | Ki = 300 nM (tested by experiment) | [12] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CAH2_HUMAN | |||||
DBT Name: Carbonic anhydrase IX (CA9) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Sucralose | |||||
Biological Activity | Ki = 2200 nM (tested by experiment) | [12] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CAH9_HUMAN | |||||
DBT Name: Cholesterol 25-hydroxylase (CYP1A2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hydroxypropyl cellulose | |||||
Biological Activity | EC50 = 139 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP1A2_HUMAN | |||||
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | EC50 = 106.7 uM (tested by experiment) | [8] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | CP1A2_HUMAN | |||||
Primary active transporter (PAT) | ||||||
DBT Name: Multidrug resistance protein 2 (ABCC2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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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) | [13] | ||||
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) | [14] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | MRP2_HUMAN | |||||
DBT Name: Multidrug resistance protein 1 (ABCB1) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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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) | [15] | ||||
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) | [16] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN | |||||
DBT Name: Urate exporter (BCRP) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | Inhibition ratio > 60 % (tested by experiment) | [17] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | ABCG2_HUMAN | |||||
Potential-driven transporter (PDT) | ||||||
DBT Name: Norepinephrine transporter (NET) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 27 uM (tested by experiment) | [1] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | SC6A2_HUMAN | |||||
DBT Name: Solute carrier SLCO2B1 (OATPB) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Monoammonium glycyrrhizate | |||||
Biological Activity | Inhibition ratio = 41.4 % (tested by experiment) | [18] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | SO2B1_HUMAN | |||||
DBT Name: Monoamine transporter VAT2 (VMAT2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | Ki = 4.7 uM (tested by experiment) | [1] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | VMAT2_HUMAN | |||||
DBT Name: Solute carrier SLCO1A2 (OATP-A) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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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) | [19] | ||||
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) | [19] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | SO1A2_HUMAN | |||||
Transmembrane channel/porin (TC/P) | ||||||
DBT Name: Glycine receptor alpha-1 (GLRA1) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Mannitol | |||||
Biological Activity | EC50 = 12589.25 nM (estimated based on the structural similarity with CHEMBL604608 ) | [20] | ||||
Structural Similarity | Tanimoto coefficient = 0.804878049 | |||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | GLRA1_HUMAN | |||||
DBT Name: Vanilloid receptor 2 (TrpV2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 > 10000 nM (tested by experiment) | [21] | ||||
Tested Species | Rattus norvegicus (Rat) | |||||
UniProt ID | TRPV2_RAT | |||||
Nuclear receptor (NR) | ||||||
DBT Name: PPAR-alpha (PPARA) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 600 nM (tested by experiment) | [22] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | PPARA_HUMAN | |||||
DBT Name: PPAR-delta (PPARD) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 5300 nM (tested by experiment) | [22] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | PPARD_HUMAN | |||||
DBT Name: PPAR-gamma (PPARG) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 4100 nM (tested by experiment) | [22] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | PPARG_HUMAN | |||||
DBT Name: Progesterone receptor (PGR) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | IC50 = 12 uM (tested by experiment) | [1] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | PRGR_HUMAN | |||||
Other protein families (OPF) | ||||||
DBT Name: Adipocyte lipid-binding protein (ALBP) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | Ki = 1500 nM (tested by experiment) | [23] | ||||
Tested Species | Homo sapiens (Human) | |||||
UniProt ID | FABP4_HUMAN | |||||
DBT Name: Liver lipid-binding protein (L-FABP) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Oleic acid | |||||
Biological Activity | Ki = 180 nM (tested by experiment) | [24] | ||||
Tested Species | Rattus norvegicus (Rat) | |||||
UniProt ID | FABPL_RAT | |||||
Cell line (CELL) | ||||||
DBT Name: Colon cancer Caco-2 cells (Caco-2) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | Promotion ratio > 18 % (tested by experiment) | [14] | ||||
Tested Species | Homo sapiens (Human) | |||||
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Hypromellose | |||||
Biological Activity | Promotion ratio > 27 % (tested by experiment) | [14] | ||||
Tested Species | Homo sapiens (Human) | |||||
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Medium-chain triglyceride | |||||
Biological Activity | Inhibition ratio > 36 % (tested by experiment) | [14] | ||||
Tested Species | Homo sapiens (Human) | |||||
DBT Name: Leukemia K562 cells (K562) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Sodium stearyl fumarate | |||||
Biological Activity | IC50 = 20.2 ug.mL-1 (estimated based on the structural similarity with CHEMBL3126829 ) | [25] | ||||
Structural Similarity | Tanimoto coefficient = 0.75 | |||||
Tested Species | Homo sapiens (Human) | |||||
Cellosaurus ID | CVCL_0004 | |||||
DBT Name: Breast cancer MCF7 cells (MCF7) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Sodium stearyl fumarate | |||||
Biological Activity | IC50 = 60 ug.mL-1 (estimated based on the structural similarity with CHEMBL3126829 ) | [25] | ||||
Structural Similarity | Tanimoto coefficient = 0.75 | |||||
Tested Species | Homo sapiens (Human) | |||||
Cellosaurus ID | CVCL_0031 | |||||
DBT Name: Immortalized MDCK cells (MDCK) | Click to Show/Hide | |||||
Detailed Information |
DBT Info
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Experiment for Assessing the Biological Activity of the Studied DIG on This DBT | ||||||
Interacting DIG | Monoammonium glycyrrhizate | |||||
Biological Activity | EC50 = 15200 nM (estimated based on the structural similarity with CHEMBL441687 ) | [26] | ||||
Structural Similarity | Tanimoto coefficient = 0.982905983 | |||||
Tested Species | Canis lupus familiaris (Dog) | |||||
Cellosaurus ID | CVCL_0422 | |||||
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