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BDBM50272009 CHEMBL4126062

SMILES: COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2c(F)cccc2Cl)n1-c1ccc(F)cc1

InChI Key: InChIKey=HDYZAHJIZJUNJG-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272009   
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
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))		BDBM50272009
PNG
(CHEMBL4126062)
Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2c(F)cccc2Cl)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H29ClF2N2O3S/c1-29(2,19-8-13-25(35-3)26(16-19)36-4)27-17-33-28(34(27)21-11-9-20(31)10-12-21)38-15-14-37-18-22-23(30)6-5-7-24(22)32/h5-13,16-17H,14-15,18H2,1-4H3
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PubMed
n/an/an/an/a 1.60n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in CHOK1 cells after 5 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 28: 1849-1852 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.011
BindingDB Entry DOI: 10.7270/Q2BP0588
More data for this
Ligand-Target Pair