Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50271772'   

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 (Homo sapiens (Human))	BDBM50271772 ((3S,6S)-7-(3-Cyclohexyl-propyl)-6-(4-methoxy-benzy...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CCCC2CCCCC2)cc1 |r,c:13| Show InChI InChI=1S/C23H35N3O/c1-18-16-24-23-25(14-6-9-19-7-4-3-5-8-19)21(17-26(18)23)15-20-10-12-22(27-2)13-11-20/h10-13,18-19,21H,3-9,14-17H2,1-2H3/p+1/t18-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibitory activity for kappa opioid receptor				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50271772 ((3S,6S)-7-(3-Cyclohexyl-propyl)-6-(4-methoxy-benzy...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CCCC2CCCCC2)cc1 |r,c:13| Show InChI InChI=1S/C23H35N3O/c1-18-16-24-23-25(14-6-9-19-7-4-3-5-8-19)21(17-26(18)23)15-20-10-12-22(27-2)13-11-20/h10-13,18-19,21H,3-9,14-17H2,1-2H3/p+1/t18-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain homogenate				Bioorg Med Chem 16: 5932-8 (2008) Article DOI: 10.1016/j.bmc.2008.04.061 BindingDB Entry DOI: 10.7270/Q2BG2PW7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50271772 ((3S,6S)-7-(3-Cyclohexyl-propyl)-6-(4-methoxy-benzy...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CCCC2CCCCC2)cc1 |r,c:13| Show InChI InChI=1S/C23H35N3O/c1-18-16-24-23-25(14-6-9-19-7-4-3-5-8-19)21(17-26(18)23)15-20-10-12-22(27-2)13-11-20/h10-13,18-19,21H,3-9,14-17H2,1-2H3/p+1/t18-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibition of Opioid receptor kappa 1 binding				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair