Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50271310'   

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))	BDBM50271310 ((3S,6S)-6-(4-Methoxy-benzyl)-3-methyl-7-(4-methyl-...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CC2CCC(C)CC2)cc1 |r,wD:10.10,7.6,c:13,(2.37,2.47,;.83,2.51,;.03,1.19,;.77,-.16,;-.03,-1.47,;-1.57,-1.43,;-2.37,-2.74,;-3.91,-2.7,;-4.79,-1.43,;-6.26,-1.87,;-7.72,-1.34,;-8.16,.12,;-8.66,-2.58,;-7.79,-3.85,;-6.31,-3.42,;-4.85,-3.93,;-4.41,-5.41,;-5.47,-6.52,;-6.97,-6.17,;-8.02,-7.28,;-7.59,-8.76,;-8.65,-9.87,;-6.09,-9.12,;-5.03,-8,;-2.31,-.09,;-1.51,1.23,)| Show InChI InChI=1S/C22H33N3O/c1-16-4-6-19(7-5-16)14-25-20(15-24-17(2)13-23-22(24)25)12-18-8-10-21(26-3)11-9-18/h8-11,16-17,19-20H,4-7,12-15H2,1-3H3/p+1/t16?,17-,19?,20-/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	1.57E+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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50271310 ((3S,6S)-6-(4-Methoxy-benzyl)-3-methyl-7-(4-methyl-...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CC2CCC(C)CC2)cc1 |r,wD:10.10,7.6,c:13,(2.37,2.47,;.83,2.51,;.03,1.19,;.77,-.16,;-.03,-1.47,;-1.57,-1.43,;-2.37,-2.74,;-3.91,-2.7,;-4.79,-1.43,;-6.26,-1.87,;-7.72,-1.34,;-8.16,.12,;-8.66,-2.58,;-7.79,-3.85,;-6.31,-3.42,;-4.85,-3.93,;-4.41,-5.41,;-5.47,-6.52,;-6.97,-6.17,;-8.02,-7.28,;-7.59,-8.76,;-8.65,-9.87,;-6.09,-9.12,;-5.03,-8,;-2.31,-.09,;-1.51,1.23,)| Show InChI InChI=1S/C22H33N3O/c1-16-4-6-19(7-5-16)14-25-20(15-24-17(2)13-23-22(24)25)12-18-8-10-21(26-3)11-9-18/h8-11,16-17,19-20H,4-7,12-15H2,1-3H3/p+1/t16?,17-,19?,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+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))	BDBM50271310 ((3S,6S)-6-(4-Methoxy-benzyl)-3-methyl-7-(4-methyl-...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CC2CCC(C)CC2)cc1 |r,wD:10.10,7.6,c:13,(2.37,2.47,;.83,2.51,;.03,1.19,;.77,-.16,;-.03,-1.47,;-1.57,-1.43,;-2.37,-2.74,;-3.91,-2.7,;-4.79,-1.43,;-6.26,-1.87,;-7.72,-1.34,;-8.16,.12,;-8.66,-2.58,;-7.79,-3.85,;-6.31,-3.42,;-4.85,-3.93,;-4.41,-5.41,;-5.47,-6.52,;-6.97,-6.17,;-8.02,-7.28,;-7.59,-8.76,;-8.65,-9.87,;-6.09,-9.12,;-5.03,-8,;-2.31,-.09,;-1.51,1.23,)| Show InChI InChI=1S/C22H33N3O/c1-16-4-6-19(7-5-16)14-25-20(15-24-17(2)13-23-22(24)25)12-18-8-10-21(26-3)11-9-18/h8-11,16-17,19-20H,4-7,12-15H2,1-3H3/p+1/t16?,17-,19?,20-/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	1.79E+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