Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225993'   

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))	BDBM225993 (FXR_86) Show SMILES CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc21 Show InChI InChI=1S/C27H25BrN2O7S2/c1-38(34,35)23-4-2-3-5-24(23)39(36,37)29-14-12-27(13-15-29)21-16-20(28)10-11-22(21)30(26(27)33)17-18-6-8-19(9-7-18)25(31)32/h2-11,16H,12-15,17H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	7.4	n/a
D3R					Assay Description The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...				D3R 882: (2017) BindingDB Entry DOI: 10.7270/Q2MC8XWV
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