Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50050751'   

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))	BDBM50050751 (5-(3-{[({[({[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl...) Show SMILES [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#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:32.32,c:35,38| Show InChI InChI=1S/C50H48Cl2N8O10S/c1-59(47(67)19-28-4-15-38(51)39(52)18-28)40(27-60-16-2-3-17-60)29-5-7-30(8-6-29)57-46(66)26-55-44(64)24-53-43(63)23-54-45(65)25-56-50(71)58-31-9-12-34(37(20-31)49(68)69)48-35-13-10-32(61)21-41(35)70-42-22-33(62)11-14-36(42)48/h4-15,18,20-22,40,61-62H,2-3,16-17,19,23-27H2,1H3,(H,53,63)(H,54,65)(H,55,64)(H,56,71)(H,57,66)(H,68,69)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	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))	BDBM50050751 (5-(3-{[({[({[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl...) Show SMILES [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#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:32.32,c:35,38| Show InChI InChI=1S/C50H48Cl2N8O10S/c1-59(47(67)19-28-4-15-38(51)39(52)18-28)40(27-60-16-2-3-17-60)29-5-7-30(8-6-29)57-46(66)26-55-44(64)24-53-43(63)23-54-45(65)25-56-50(71)58-31-9-12-34(37(20-31)49(68)69)48-35-13-10-32(61)21-41(35)70-42-22-33(62)11-14-36(42)48/h4-15,18,20-22,40,61-62H,2-3,16-17,19,23-27H2,1H3,(H,53,63)(H,54,65)(H,55,64)(H,56,71)(H,57,66)(H,68,69)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	421	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