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BDBM50231001 CHEMBL4059655

SMILES: COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC(C)C)c3nc4ccc(cc4n3C)C(O)=O)C2=O)cc1

InChI Key: InChIKey=UAVRDUSQIDDMMV-SANMLTNESA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231001   
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))		BDBM50231001
PNG
(CHEMBL4059655)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC(C)C)c3nc4ccc(cc4n3C)C(O)=O)C2=O)cc1 |r|
Show InChI InChI=1S/C30H30N4O6/c1-18(2)15-26(28-31-24-14-5-19(29(36)37)16-25(24)32(28)3)34-27(35)17-33(30(34)38)20-6-8-22(9-7-20)40-23-12-10-21(39-4)11-13-23/h5-14,16,18,26H,15,17H2,1-4H3,(H,36,37)/t26-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PubMed
n/an/a 7.53E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair