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BDBM50230990 CHEMBL4093639

SMILES: Cn1c(nc2ccc(cc12)C(O)=O)[C@@H](Cc1ccccc1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=QSSOHSQJYAMZSC-MUUNZHRXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230990   
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))		BDBM50230990
PNG
(CHEMBL4093639)
Show SMILES Cn1c(nc2ccc(cc12)C(O)=O)[C@@H](Cc1ccccc1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H26N4O5/c1-34-27-19-22(31(38)39)12-17-26(27)33-30(34)28(18-21-8-4-2-5-9-21)36-29(37)20-35(32(36)40)23-13-15-25(16-14-23)41-24-10-6-3-7-11-24/h2-17,19,28H,18,20H2,1H3,(H,38,39)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.75E+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