Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50174570'   

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))	BDBM50174570 (CHEMBL3808824) Show SMILES [I-].CCCC[N+]1(CC2N(CCc3ccccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1 Show InChI InChI=1S/C28H34ClN2O2.HI/c1-2-3-14-31(15-6-7-16-31)19-26-22-9-5-4-8-20(22)12-13-30(26)28(33)25-18-27(32)23-11-10-21(29)17-24(23)25;/h4-5,8-11,17,25-26H,2-3,6-7,12-16,18-19H2,1H3;1H/q+1;/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...				Bioorg Med Chem 24: 2964-2970 (2016) Article DOI: 10.1016/j.bmc.2016.05.002 BindingDB Entry DOI: 10.7270/Q2P84DTT
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