Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50072346'   

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))	BDBM50072346 (CHEMBL3409109) Show SMILES [H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r| Show InChI InChI=1S/C29H33NO2/c31-25-14-15-27-26(21-25)29(17-8-7-13-23-9-3-1-4-10-23)18-20-30(22-28(29)32-27)19-16-24-11-5-2-6-12-24/h1-6,9-12,14-15,21,28,31H,7-8,13,16-20,22H2/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human recombinant opioid kappa receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting...				Eur J Med Chem 92: 531-9 (2015) Article DOI: 10.1016/j.ejmech.2015.01.025 BindingDB Entry DOI: 10.7270/Q2GF0W6W
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