Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50299381'   

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))	BDBM50299381 (4-((3-(aminomethyl)phenyl)(1-benzylpiperidin-4-yl)...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN)c1 Show InChI InChI=1S/C30H38N4O/c1-3-33(4-2)30(35)26-13-15-27(16-14-26)34(29-12-8-11-25(21-29)22-31)28-17-19-32(20-18-28)23-24-9-6-5-7-10-24/h5-16,21,28H,3-4,17-20,22-23,31H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.93E+3	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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