Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50195661'   

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))	BDBM50195661 (CHEMBL216365 | N-cyclopropylmethyl-14beta-[4'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C31H33ClN2O4/c1-37-24-12-9-21-17-25-31(33-26(36)4-2-3-19-7-10-22(32)11-8-19)14-13-23(35)29-30(31,27(21)28(24)38-29)15-16-34(25)18-20-5-6-20/h2-3,7-12,20,25,29H,4-6,13-18H2,1H3,(H,33,36)/b3-2+/t25-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50195661 (CHEMBL216365 | N-cyclopropylmethyl-14beta-[4'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C31H33ClN2O4/c1-37-24-12-9-21-17-25-31(33-26(36)4-2-3-19-7-10-22(32)11-8-19)14-13-23(35)29-30(31,27(21)28(24)38-29)15-16-34(25)18-20-5-6-20/h2-3,7-12,20,25,29H,4-6,13-18H2,1H3,(H,33,36)/b3-2+/t25-,29+,30+,31-/m1/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	106	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair