Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50399957'   

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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50399957 (CHEMBL2181253) Show SMILES CCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12 Show InChI InChI=1S/C22H20Cl2N4O2/c1-2-9-27-10-11-28(19-6-4-3-5-18(19)27)22(29)16-13-25-14-26-21(16)30-20-12-15(23)7-8-17(20)24/h3-8,12-14H,2,9-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay				J Med Chem 55: 10475-89 (2012) Article DOI: 10.1021/jm301071h BindingDB Entry DOI: 10.7270/Q2H70H0W
					More data for this Ligand-Target Pair