Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50299387'   

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))	BDBM50299387 (4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-14-16-25(17-15-24)34(28-13-9-8-12-27(28)29(31)35)26-18-20-32(21-19-26)22-23-10-6-5-7-11-23/h5-17,26H,3-4,18-22H2,1-2H3,(H2,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
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