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BDBM50230999 CHEMBL4099184

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

InChI Key: InChIKey=XUGBPKYCLHLNQW-QYBDOPJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230999   
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))		BDBM50230999
PNG
(CHEMBL4099184)
Show SMILES CC[C@H](C)[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O5/c1-4-18(2)26(27-30-23-15-10-19(28(35)36)16-24(23)31(27)3)33-25(34)17-32(29(33)37)20-11-13-22(14-12-20)38-21-8-6-5-7-9-21/h5-16,18,26H,4,17H2,1-3H3,(H,35,36)/t18-,26-/m0/s1
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PubMed
n/an/a 1.02E+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