Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50028064'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50028064 (CHEMBL3338875) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r| Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from guinea pig cerebellum KOR				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
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