Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50011516'   

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))	BDBM50011516 (CHEMBL3262546) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO cell membranes after 60 mins				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
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