Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105063'   

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))	BDBM50105063 (1-{1-[2-(4,5-Dimethoxy-2-nitro-phenyl)-acetyl]-pip...) Show SMILES COc1cc(CC(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C22H23N4O6/c1-31-19-11-14(18(26(29)30)13-20(19)32-2)12-21(27)24-9-7-15(8-10-24)25-17-6-4-3-5-16(17)23-22(25)28/h3-6,11,13,15H,7-10,12H2,1-2H3/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105063 (1-{1-[2-(4,5-Dimethoxy-2-nitro-phenyl)-acetyl]-pip...) Show SMILES COc1cc(CC(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C22H23N4O6/c1-31-19-11-14(18(26(29)30)13-20(19)32-2)12-21(27)24-9-7-15(8-10-24)25-17-6-4-3-5-16(17)23-22(25)28/h3-6,11,13,15H,7-10,12H2,1-2H3/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair