Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50336401'   

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))	BDBM50336401 (CHEMBL1668246 | rac-(4-(2-(2-(4-chlorophenyl)-5,6-...) Show SMILES OC(=O)Cc1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H26ClF2N3O3/c30-20-10-8-19(9-11-20)28-34-24-15-22(31)23(32)16-25(24)35(28)27(18-4-2-1-3-5-18)29(38)33-21-12-6-17(7-13-21)14-26(36)37/h6-13,15-16,18,27H,1-5,14H2,(H,33,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50336401 (CHEMBL1668246 | rac-(4-(2-(2-(4-chlorophenyl)-5,6-...) Show SMILES OC(=O)Cc1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H26ClF2N3O3/c30-20-10-8-19(9-11-20)28-34-24-15-22(31)23(32)16-25(24)35(28)27(18-4-2-1-3-5-18)29(38)33-21-12-6-17(7-13-21)14-26(36)37/h6-13,15-16,18,27H,1-5,14H2,(H,33,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Agonist activity at Gal4-fused human FXR by luciferase reporter gene transactivation assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair