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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 = 'BDBM50231222'   
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))		BDBM50231222
PNG
(CHEMBL4074259)
Show SMILES CC(C)C[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O5/c1-18(2)15-25(27-30-23-14-9-19(28(35)36)16-24(23)31(27)3)33-26(34)17-32(29(33)37)20-10-12-22(13-11-20)38-21-7-5-4-6-8-21/h4-14,16,18,25H,15,17H2,1-3H3,(H,35,36)/t25-/m1/s1
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PC cid
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Article
PubMed
n/an/a 6.60E+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