Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50209670'   

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))	BDBM50209670 (17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44| Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50209670 (17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44| Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/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	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair