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SMILES: CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=JRXCTWLCXFMYNA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306717   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))		BDBM50306717
PNG
(CHEMBL600415 | Isopropyl 1,1-Dimethyl-3-[4-(2-pyrr...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCCC2)cc1 |t:6|
Show InChI InChI=1S/C31H37N3O4/c1-21(2)38-30(36)25-19-34(20-31(3,4)27-24-9-5-6-10-26(24)32-28(25)27)29(35)22-11-13-23(14-12-22)37-18-17-33-15-7-8-16-33/h5-6,9-14,19,21,32H,7-8,15-18,20H2,1-4H3
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Article
PubMed
n/an/an/an/a 698n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human FXR-LBD expressed in HEL293 cells by Gal4-luciferase assay

J Med Chem 53: 1774-87 (2010)


Article DOI: 10.1021/jm901650u
BindingDB Entry DOI: 10.7270/Q24F1QT5
More data for this
Ligand-Target Pair