Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50050752'   

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))	BDBM50050752 (5-{3-[({[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-me...) Show SMILES [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:24.24,c:27,30| Show InChI InChI=1S/C46H42Cl2N6O8S/c1-53(43(59)19-26-4-15-36(47)37(48)18-26)38(25-54-16-2-3-17-54)27-5-7-28(8-6-27)51-42(58)24-49-41(57)23-50-46(63)52-29-9-12-32(35(20-29)45(60)61)44-33-13-10-30(55)21-39(33)62-40-22-31(56)11-14-34(40)44/h4-15,18,20-22,38,55-56H,2-3,16-17,19,23-25H2,1H3,(H,49,57)(H,50,63)(H,51,58)(H,60,61)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.				J Med Chem 39: 1729-35 (1996) Article DOI: 10.1021/jm950813b BindingDB Entry DOI: 10.7270/Q27S7PFG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50050752 (5-{3-[({[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-me...) Show SMILES [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:24.24,c:27,30| Show InChI InChI=1S/C46H42Cl2N6O8S/c1-53(43(59)19-26-4-15-36(47)37(48)18-26)38(25-54-16-2-3-17-54)27-5-7-28(8-6-27)51-42(58)24-49-41(57)23-50-46(63)52-29-9-12-32(35(20-29)45(60)61)44-33-13-10-30(55)21-39(33)62-40-22-31(56)11-14-34(40)44/h4-15,18,20-22,38,55-56H,2-3,16-17,19,23-25H2,1H3,(H,49,57)(H,50,63)(H,51,58)(H,60,61)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated mouse vas deferens (MVD) preparation.				J Med Chem 39: 1729-35 (1996) Article DOI: 10.1021/jm950813b BindingDB Entry DOI: 10.7270/Q27S7PFG
					More data for this Ligand-Target Pair