Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50061063'   

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 (Mus musculus (Mouse))	BDBM50061063 ((4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radioligand				J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50061063 ((4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates				Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD
					More data for this Ligand-Target Pair