Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50092675'   

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))	BDBM50092675 (4-([1,4]Diazepan-1-yl-phenyl-methyl)-N,N-diethyl-b...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCCNCC1)c1ccccc1 Show InChI InChI=1S/C23H31N3O/c1-3-25(4-2)23(27)21-13-11-20(12-14-21)22(19-9-6-5-7-10-19)26-17-8-15-24-16-18-26/h5-7,9-14,22,24H,3-4,8,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
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