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BDBM50230995 CHEMBL4065703

SMILES: CC(C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O

InChI Key: InChIKey=XFLRIRBKIBOJPC-RUZDIDTESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230995   
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))		BDBM50230995
PNG
(CHEMBL4065703)
Show SMILES CC(C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C28H26N4O5/c1-17(2)25(26-29-22-14-9-18(27(34)35)15-23(22)30(26)3)32-24(33)16-31(28(32)36)19-10-12-21(13-11-19)37-20-7-5-4-6-8-20/h4-15,17,25H,16H2,1-3H3,(H,34,35)/t25-/m1/s1
PDB
MMDB

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Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.19E+5n/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