Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50185717'   

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))	BDBM50185717 (CHEMBL3823688) Show SMILES CCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:5.7,wD:3.17,(4,-5.09,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C32H28Cl3NO5/c1-2-40-32(15-21(16-32)19-5-3-6-20(13-19)31(37)38)24-12-11-22(14-27(24)35)39-17-23-29(36-41-30(23)18-9-10-18)28-25(33)7-4-8-26(28)34/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,37,38)/t21-,32+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...				Bioorg Med Chem Lett 26: 3746-53 (2016) Article DOI: 10.1016/j.bmcl.2016.05.070 BindingDB Entry DOI: 10.7270/Q2C24ZB9
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50185717 (CHEMBL3823688) Show SMILES CCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:5.7,wD:3.17,(4,-5.09,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C32H28Cl3NO5/c1-2-40-32(15-21(16-32)19-5-3-6-20(13-19)31(37)38)24-12-11-22(14-27(24)35)39-17-23-29(36-41-30(23)18-9-10-18)28-25(33)7-4-8-26(28)34/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,37,38)/t21-,32+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	277	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...				Bioorg Med Chem Lett 26: 3746-53 (2016) Article DOI: 10.1016/j.bmcl.2016.05.070 BindingDB Entry DOI: 10.7270/Q2C24ZB9
					More data for this Ligand-Target Pair