Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50401368'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50401368 (CHEMBL2205813) Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair