Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50334236'   

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))	BDBM50334236 (2-(4-chlorophenyl)-1-(1-cyclohexyl-2-(cyclohexylam...) Show SMILES OC(=O)c1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1 Show InChI InChI=1S/C28H32ClN3O3/c29-21-14-11-19(12-15-21)26-31-23-16-13-20(28(34)35)17-24(23)32(26)25(18-7-3-1-4-8-18)27(33)30-22-9-5-2-6-10-22/h11-18,22,25H,1-10H2,(H,30,33)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 191-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.039 BindingDB Entry DOI: 10.7270/Q2XP757R
					More data for this Ligand-Target Pair				3D Structure (crystal)