Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50011520'   

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))	BDBM50011520 (CHEMBL3262550) Show SMILES CCC1C(=O)N(C2CCN(CC2)C(C)CC(c2ccccc2)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C31H36N2O/c1-3-27-28-16-10-11-17-30(28)33(31(27)34)26-18-20-32(21-19-26)23(2)22-29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,23,26-27,29H,3,18-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17E+3	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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