Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50377014'   

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))	BDBM50377014 (CHEMBL254754) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N4O6S/c1-29-12-14-32(15-13-29)39(35,36)27-18-26(38-4)25(37-3)16-22(27)17-28(34)30(2)24(21-8-6-5-7-9-21)20-31-11-10-23(33)19-31/h5-9,16,18,23-24,33H,10-15,17,19-20H2,1-4H3/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377014 (CHEMBL254754) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N4O6S/c1-29-12-14-32(15-13-29)39(35,36)27-18-26(38-4)25(37-3)16-22(27)17-28(34)30(2)24(21-8-6-5-7-9-21)20-31-11-10-23(33)19-31/h5-9,16,18,23-24,33H,10-15,17,19-20H2,1-4H3/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.710	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair