Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50117094'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM50117094 ((R)-4-((3R,6R,7R,10S,13R)-6-Benzyl-3,7-dihydroxy-1...) Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](Cc4ccccc4)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C31H46O4/c1-19(9-12-27(33)34)23-10-11-24-28-25(14-16-30(23,24)2)31(3)15-13-21(32)18-26(31)22(29(28)35)17-20-7-5-4-6-8-20/h4-8,19,21-26,28-29,32,35H,9-18H2,1-3H3,(H,33,34)/t19-,21-,22-,23?,24?,25?,26?,28?,29-,30-,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effective concentration against Farnesoid X receptor (FXR)				J Med Chem 45: 3569-72 (2002) BindingDB Entry DOI: 10.7270/Q25D8SKG
					More data for this Ligand-Target Pair