Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50204312'   

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))	BDBM50204312 (CHEMBL3936289) Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair