Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM21714'   

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))	BDBM21714 (3-[(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-...) Show SMILES CCCN(C(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl)c1cccc(c1)C(O)=O |(4.61,1.66,;4.61,.12,;5.95,-.65,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;-.79,3.62,;-.47,5.13,;.35,2.59,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,)| Show InChI InChI=1S/C30H27Cl3N2O5/c1-4-13-35(19-8-5-7-18(14-19)30(37)38)29(36)21-12-11-20(15-25(21)33)39-16-22-27(34-40-28(22)17(2)3)26-23(31)9-6-10-24(26)32/h5-12,14-15,17H,4,13,16H2,1-3H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	7.2	37
University of Tokyo					Assay Description Compounds were screened for agonist/antagonist activity on FXR-GAL4 chimeric receptors in transiently transfected HEK-293 cells. The EC50/IC50 values...				Bioorg Med Chem 15: 2587-600 (2007) Article DOI: 10.1016/j.bmc.2007.01.046 BindingDB Entry DOI: 10.7270/Q21R6NSZ
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