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BDBM50230997 CHEMBL4060674

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

InChI Key: InChIKey=YMNPULKUJGXDKH-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230997   
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))		BDBM50230997
PNG
(CHEMBL4060674)
Show SMILES CC[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C27H24N4O5/c1-3-22(25-28-21-14-9-17(26(33)34)15-23(21)29(25)2)31-24(32)16-30(27(31)35)18-10-12-20(13-11-18)36-19-7-5-4-6-8-19/h4-15,22H,3,16H2,1-2H3,(H,33,34)/t22-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Patents
PubMed
n/an/a 2.10E+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