Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50250867'   

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))	BDBM50250867 (CHEMBL4103787) Show SMILES Cc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C(O)=O |THB:7:10:12.13:15.16.17,18:16:10:12.13| Show InChI InChI=1S/C30H28F3N3O5S/c1-15-10-17(28(37)38)11-24-25(15)34-29(42-24)36-18-8-9-19(36)13-20(12-18)39-14-22-26(35-41-27(22)16-6-7-16)21-4-2-3-5-23(21)40-30(31,32)33/h2-5,10-11,16,18-20H,6-9,12-14H2,1H3,(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	0.490	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells asses...				J Med Chem 60: 9960-9973 (2017) Article DOI: 10.1021/acs.jmedchem.7b00907 BindingDB Entry DOI: 10.7270/Q2H997N6
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50250867 (CHEMBL4103787) Show SMILES Cc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C(O)=O |THB:7:10:12.13:15.16.17,18:16:10:12.13| Show InChI InChI=1S/C30H28F3N3O5S/c1-15-10-17(28(37)38)11-24-25(15)34-29(42-24)36-18-8-9-19(36)13-20(12-18)39-14-22-26(35-41-27(22)16-6-7-16)21-4-2-3-5-23(21)40-30(31,32)33/h2-5,10-11,16,18-20H,6-9,12-14H2,1H3,(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	0.820	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells asses...				J Med Chem 60: 9960-9973 (2017) Article DOI: 10.1021/acs.jmedchem.7b00907 BindingDB Entry DOI: 10.7270/Q2H997N6
					More data for this Ligand-Target Pair