Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50303604'   

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))	BDBM50303604 (2-Hydroxymethyl-3-hydroxymorphinan | CHEMBL570449) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc31 |r,TLB:0:1:12.20.11:9| Show InChI InChI=1S/C18H25NO2/c1-19-7-6-18-5-3-2-4-14(18)16(19)9-12-8-13(11-20)17(21)10-15(12)18/h8,10,14,16,20-21H,2-7,9,11H2,1H3/t14-,16+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
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