Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50271815'   

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))	BDBM50271815 ((3S,6R)-3-Cyclohexyl-7-(3-cyclohexyl-propyl)-6-(4-...) Show SMILES COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1 |r,c:12| Show InChI InChI=1S/C28H43N3O/c1-32-26-16-14-23(15-17-26)19-25-21-31-27(24-12-6-3-7-13-24)20-29-28(31)30(25)18-8-11-22-9-4-2-5-10-22/h14-17,22,24-25,27H,2-13,18-21H2,1H3/p+1/t25-,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+3	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))	BDBM50271815 ((3S,6R)-3-Cyclohexyl-7-(3-cyclohexyl-propyl)-6-(4-...) Show SMILES COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1 |r,c:12| Show InChI InChI=1S/C28H43N3O/c1-32-26-16-14-23(15-17-26)19-25-21-31-27(24-12-6-3-7-13-24)20-29-28(31)30(25)18-8-11-22-9-4-2-5-10-22/h14-17,22,24-25,27H,2-13,18-21H2,1H3/p+1/t25-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.03E+3	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