Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105076'   

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))	BDBM50105076 (8-(3-Phenoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	101	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))	BDBM50105076 (8-(3-Phenoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	101	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