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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50231000'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))		BDBM50231000
PNG
(CHEMBL4091307)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H27ClN4O5/c1-17(2)14-25(27-31-23-13-4-18(28(36)37)15-24(23)32(27)3)34-26(35)16-33(29(34)38)20-7-11-22(12-8-20)39-21-9-5-19(30)6-10-21/h4-13,15,17,25H,14,16H2,1-3H3,(H,36,37)/t25-/m0/s1
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Article
PubMed
n/an/a 2.56E+3n/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)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair