Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50267352'   

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))	BDBM50267352 ((-)-[(2R)-(1,4-Dibenzyl)-1,4-diazepan-2-yl]methano...) Show SMILES OC[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H26N2O/c23-17-20-16-21(14-18-8-3-1-4-9-18)12-7-13-22(20)15-19-10-5-2-6-11-19/h1-6,8-11,20,23H,7,12-17H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor (unknown origin)				Eur J Med Chem 44: 519-25 (2009) Article DOI: 10.1016/j.ejmech.2008.03.033 BindingDB Entry DOI: 10.7270/Q27S7NKV
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