Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50035849   

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))	BDBM50013955 (N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...) Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Affinity of compound towards Sigma opioid receptor was determined in presence of [3H](+)-3-PPP radioligand				J Med Chem 33: 3100-10 (1990) BindingDB Entry DOI: 10.7270/Q2348KZJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013955 (N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...) Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand				J Med Chem 33: 3100-10 (1990) BindingDB Entry DOI: 10.7270/Q2348KZJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013962 (2-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-[(2R)-2-(py...) Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H28N2O3/c1-21(16-6-2-3-7-17(16)22-10-4-5-11-22)20(23)13-15-8-9-18-19(12-15)25-14-24-18/h8-9,12,16-17H,2-7,10-11,13-14H2,1H3/t16?,17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand				J Med Chem 33: 3100-10 (1990) BindingDB Entry DOI: 10.7270/Q2348KZJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50003747 ((+)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...) Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1 Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand				J Med Chem 33: 3100-10 (1990) BindingDB Entry DOI: 10.7270/Q2348KZJ
					More data for this Ligand-Target Pair