Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50018762'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50018762 (2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity for the Opioid receptor kappa 1				J Med Chem 31: 831-6 (1988) BindingDB Entry DOI: 10.7270/Q2R78FSK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50018762 (2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2				J Med Chem 31: 831-6 (1988) BindingDB Entry DOI: 10.7270/Q2R78FSK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50018762 (2-Benzofuran-4-yl-N-methyl-N-(2-pyrrolidin-1-yl-cy...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C21H28N2O2/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Effect on plasma amine oxidase (0.1 uM) after 60 min of incubation at pH 7.2				J Med Chem 31: 831-6 (1988) BindingDB Entry DOI: 10.7270/Q2R78FSK
					More data for this Ligand-Target Pair