General Information of DFM (ID: F07491)
Name	Esomeprazole 20 mg capsule
Company	Ascend Laboratories
Active Pharmaceutical Ingredient (API)	Esomeprazole		API Info click to show the detail info of this API
	Duodenal ulcer		ICD-11: DA63	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E01OUP	DIG Info	Allura red AC dye	Colorant
	E0A1CS	DIG Info	Ammonia	Alkalizing agent
	E01VDF	DIG Info	Butyl alcohol	Flavoring agent ...
	E0B7AO	DIG Info	D&C red no. 28	Colorant
	E0IC9H	DIG Info	FD&C blue no. 1	Colorant
	E0M0IE	DIG Info	Ferric hydroxide oxide yellow	Colorant
	E0H2RX	DIG Info	Glyceryl monostearate	Emollient ...
	E0N2PK	DIG Info	Isopropyl alcohol	Antimicrobial preservative ...
	E01UTP	DIG Info	Magnesium stearate	lubricant
	E0DS2Q	DIG Info	Meglumine	Buffering agent
	E09KOV	DIG Info	Poloxamer 188	Emulsifying agent ...
	E0M1JK	DIG Info	Propylene glycol	Antimicrobial preservative ...
	E01UTV	DIG Info	Silicon dioxide	Anticaking agent ...
	E0F9TP	DIG Info	Sodium lauryl sulfate	Emulsifying agent ...
	E0QY1F	DIG Info	Talc	Anticaking agent ...
	E05BSD	DIG Info	Titanium dioxide	Coating agent ...
	E0K0OU	DIG Info	Triethyl citrate	Plasticizing agent ...

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
G-protein coupled receptor (GPCR)
DBT Name: Serotonin receptor 2B (5HT2B)				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. 1
Biological Activity	EC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT2B_HUMAN
DBT Name: Adenosine receptor A3 (AA3R)				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	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AA3R_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 0.48 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AA3R_HUMAN
DBT Name: Cannabinoid CB2 receptor (CNR2)				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. 1
Biological Activity	EC50 = 608.6 nM (estimated based on the structural similarity with CHEMBL2326294 )					[2]
Structural Similarity	Tanimoto coefficient = 0.805970149
Tested Species	Homo sapiens (Human)
UniProt ID	CNR2_HUMAN
DBT Name: Muscarinic receptor M1 (ACM1)				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	Sodium lauryl sulfate
Biological Activity	IC50 = 29 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACM1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	EC50 > 1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACM1_HUMAN
DBT Name: Muscarinic receptor M2 (ACM2)				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	D&C red no. 28
Biological Activity	IC50 = 0.68 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACM2_HUMAN
DBT Name: Opioid receptor mu (OPRM1)				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	D&C red no. 28
Biological Activity	IC50 = 0.8 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	OPRM_HUMAN
DBT Name: Serotonin receptor 1A (5HT1A)				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 = 19 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT1A_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT1A_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 2.4 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT1A_HUMAN
DBT Name: Alpha-1A adrenoceptor (ADA1A)				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	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA1A_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	EC50 > 3 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA1A_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 0.48 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA1A_HUMAN
DBT Name: Alpha-2A adrenoceptor (ADA2A)				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	D&C red no. 28
Biological Activity	IC50 = 14 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA2A_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 (1) 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
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 2.1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD1_HUMAN
DBT Name: Dopamine D3 receptor (DRD3)				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	Sodium lauryl sulfate
Biological Activity	IC50 = 18 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD3_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 1.5 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD3_HUMAN
DBT Name: Histamine H3 receptor (HRH3)				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	D&C red no. 28
Biological Activity	IC50 = 21 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	HRH3_HUMAN
DBT Name: Thromboxane A2 receptor (TBXA2R)				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	Sodium lauryl sulfate
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	TA2R_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	EC50 > 1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	TA2R_HUMAN
Oxidoreductase (ORase)
DBT Name: Prostaglandin G/H synthase 1 (COX-1)				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	D&C red no. 28
Biological Activity	IC50 = 2.6 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 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	FD&C blue no. 1
Biological Activity	IC50 = 22 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	Allura red AC dye
Biological Activity	IC50 = 26 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 3 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
DBT Name: Cytochrome P450 3A (CYP3A)				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	Poloxamer 188
Biological Activity	IC50 = 750 uM (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN ; CP3A5_HUMAN ; CP3A7_HUMAN ; CP343_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	Propylene glycol
Biological Activity	Inhibition ratio < 20 % (tested by experiment)					[4]
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	Magnesium stearate
Biological Activity	Protein expression downregulation (tested by experiment)					[5]
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	Poloxamer 188
Biological Activity	IC50 = 60 uM (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	Silicon dioxide
Biological Activity	Protein expression downregulation (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
DBT Name: Cytochrome P450 2E1 (CYP2E1)				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	Poloxamer 188
Biological Activity	IC50 = 203.7 uM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2E1_HUMAN
DBT Name: Cytochrome P450 2C9 (CYP2C9)				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	Poloxamer 188
Biological Activity	IC50 = 244.8 uM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2C9_HUMAN
DBT Name: Debrisoquine 4-hydroxylase (CYP2D6)				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	Poloxamer 188
Biological Activity	EC50 = 387.6 uM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CP2D6_HUMAN
DBT Name: Cytochrome P450 3A5 (CYP3A5)				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	Poloxamer 188
Biological Activity	IC50 = 210 uM (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A5_HUMAN
Transferase (TFase)
DBT Name: Alglucerase (GBA)				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	Meglumine
Biological Activity	IC50 = 447000 nM (estimated based on the structural similarity with CHEMBL1933095 )					[7]
Structural Similarity	Tanimoto coefficient = 0.846153846
Tested Species	Bos taurus (Bovine)
UniProt ID	GLCM_BOVIN
DBT Name: Arginine methyltransferase 1 (PRMT1)				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	D&C red no. 28
Biological Activity	Ki = 0.7 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ANM1_HUMAN
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	D&C red no. 28
Biological Activity	IC50 = 12 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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACES_HUMAN
Experiment (2) 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
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 2 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACES_HUMAN
DBT Name: Soluble epoxide hydrolase (EPHX2)				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	Sodium lauryl sulfate
Biological Activity	IC50 = 5500 nM (tested by experiment)					[8]
Tested Species	Homo sapiens (Human)
UniProt ID	HYES_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)					[9]
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)					[9]
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 (1) 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
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 0.1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE3A_HUMAN
DBT Name: Phosphodiesterase 4D (PDE4D)				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	FD&C blue no. 1
Biological Activity	IC50 = 28 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 23 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	IC50 = 0.9 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
DBT Name: Coagulation factor IIa (F2)				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	D&C red no. 28
Biological Activity	IC50 = 25 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	THRB_HUMAN
Primary active transporter (PAT)
DBT Name: Bile salt export pump (BSEP)				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	D&C red no. 28
Biological Activity	IC50 < 10000 nM (estimated based on the structural similarity with CHEMBL2359093 )					[10]
Structural Similarity	Tanimoto coefficient = 0.857954545
Tested Species	Homo sapiens (Human)
UniProt ID	ABCBB_HUMAN
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	Glyceryl monostearate
Biological Activity	Inhibition ratio = 76 % (tested by experiment)					[11]
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	Poloxamer 188
Biological Activity	Inhibition ratio = 53 % (tested by experiment)					[12]
Tested Species	Homo sapiens (Human)
UniProt ID	MRP2_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Poloxamer 188
Biological Activity	Inhibition ratio > 55 % (tested by experiment)					[13]
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	Glyceryl monostearate
Biological Activity	Protein expression downregulation = 52.3 % (tested by experiment)					[14]
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	Glyceryl monostearate
Biological Activity	Inhibition ratio = 46 % (tested by experiment)					[14]
Tested Species	Homo sapiens (Human)
UniProt ID	MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Glyceryl monostearate
Biological Activity	Inhibition ratio = 47 % (tested by experiment)					[14]
Tested Species	Homo sapiens (Human)
UniProt ID	MDR1_HUMAN ; MDR3_HUMAN ; ABCB5_HUMAN
Potential-driven transporter (PDT)
DBT Name: Organic anion transporter 1 (OAT1)				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	D&C red no. 28
Biological Activity	Ki = 0.064 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	S22A6_HUMAN
DBT Name: Acetylcholine VAChT transporter (SLC18A3)				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	D&C red no. 28
Biological Activity	IC50 = 9700 nM (estimated based on the structural similarity with CHEMBL2359093 )					[15]
Structural Similarity	Tanimoto coefficient = 0.857954545
Tested Species	Rattus norvegicus (Rat)
UniProt ID	VACHT_RAT
DBT Name: Solute carrier SLCO1B1 (OATP-C)				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	Sodium lauryl sulfate
Biological Activity	Ki = 2.9 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO1B1_HUMAN
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	FD&C blue no. 1
Biological Activity	Inhibition ratio = 80.5 % (tested by experiment)					[16]
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	FD&C blue no. 1
Biological Activity	Ki = 13 uM (tested by experiment)					[16]
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	Allura red AC dye
Biological Activity	Inhibition ratio = 96.52 % (tested by experiment)					[16]
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	Ki = 2.59 uM (tested by experiment)					[16]
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 = 4.7 uM (tested by experiment)					[1]
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	Sodium lauryl sulfate
Biological Activity	Inhibition ratio = 88.6 % (tested by experiment)					[16]
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	Sodium lauryl sulfate
Biological Activity	Ki = 1.98 uM (tested by experiment)					[16]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (8) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	Ki = 2.8 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (9) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	Inhibition ratio = 77 % (tested by experiment)					[16]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (10) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	Ki = 1 uM (tested by experiment)					[16]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (11) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
Biological Activity	Ki = 0.6 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Transmembrane channel/porin (TC/P)
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
DBT Name: Potassium channel Kv11.1 (KCNH2)				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	D&C red no. 28
Biological Activity	IC50 = 17 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	KCNH2_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 (1) 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
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
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	D&C red no. 28
Biological Activity	IC50 = 18 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 (1) 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
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PRGR_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	D&C red no. 28
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 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 )					[17]
Structural Similarity	Tanimoto coefficient = 0.925714286
Tested Species	Homo sapiens (Human)
UniProt ID	TPOR_HUMAN
Cell line (CELL)
DBT Name: Colon cancer Caco-2 cells (Caco-2)				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	Poloxamer 188
Biological Activity	Chylomicron secretion downregulation (tested by experiment)					[18]
Tested Species	Homo sapiens (Human)
DBT Name: Colon cancer HCT-116 cells (HCT-116)				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	Sodium lauryl sulfate
Biological Activity	IC50 > 100000 nM (tested by experiment)					[19]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0291
DBT Name: Prostate cancer LNCaP cells (LNCaP)				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	Glyceryl monostearate
Biological Activity	IC50 > 100000 nM (tested by experiment)					[20]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0395
DBT Name: Lymphoma P388/ADR cells (P388/ADR)				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	Isopropyl alcohol
Biological Activity	IC50 = 0.22 uM (estimated based on the structural similarity with CHEMBL545 )					[21]
Structural Similarity	Tanimoto coefficient = 0.789473684
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_IZ75
DBT Name: Leukemia RAW264.7 cells (RAW264.7)				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	Sodium lauryl sulfate
Biological Activity	IC50 > 100000 nM (tested by experiment)					[19]
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_0493

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7	Towards a stable noeuromycin analog with a D-manno configuration: synthesis and glycosidase inhibition of D-manno-like tri- and tetrahydroxylated azepanes. Bioorg Med Chem. 2012 Jan 15; 20(2):641-9.
8	Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain. J Med Chem. 2019 Sep 26; 62(18):8443-8460.
9	Evans Blue and other dyes as protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 2004 Apr 19; 14(8):1923-6.
10	Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification. Drug Metab Dispos. 2012 Dec; 40(12):2332-41.
11	Effects of monoglycerides on rhodamine 123 accumulation, estradiol 17 beta-D-glucuronide bidirectional transport and MRP2 protein expression within Caco-2 cells. J Pharm Pharm Sci. 2008;11(3):45-62.
12	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.
13	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.
14	Effects of monoglycerides on P-glycoprotein: modulation of the activity and expression in Caco-2 cell monolayers. Mol Pharm. Sep-Oct 2008;5(5):863-75.
15	Rose Bengal analogs and vesicular glutamate transporters (VGLUTs). Bioorg Med Chem. 2010 Sep 15; 18(18):6922-33.
16	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.
17	Hydrazinonaphthalene and azonaphthalene thrombopoietin mimics are nonpeptidyl promoters of megakaryocytopoiesis. J Med Chem. 2001 Oct 25; 44(22):3730-45.
18	The effects of pluronics block copolymers and Cremophor EL on intestinal lipoprotein processing and the potential link with P-glycoprotein in Caco-2 cells. Pharm Res. 2003 Jul;20(7):1085-92.
19	Synthesis of amphiphilic, chalcogen-based redox modulators with in vitro cytotoxic activity against cancer cells, macrophages and microbes. Med Chem Comm. (2014) 5:25-31.
20	Lignanamides and nonalkaloidal components of Hyoscyamus niger seeds. J Nat Prod. 2002 Feb; 65(2):206-9.
21	Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. J Med Chem. 2004 Mar 11; 47(6):1413-22.

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