Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50039100'   

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))	BDBM50039100 (2-(3,4-Dichloro-phenyl)-1-[5-hydroxy-1-(3-hydroxy-...) Show SMILES OC1CCN(CC2N(CCc3c(O)cccc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C22H24Cl2N2O3/c23-18-5-4-14(10-19(18)24)11-22(29)26-9-7-17-16(2-1-3-21(17)28)20(26)13-25-8-6-15(27)12-25/h1-5,10,15,20,27-28H,6-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description In vitro kappa-opioid receptor agonist activity in isolated rabbit vas deferens assay				J Med Chem 37: 2138-44 (1994) BindingDB Entry DOI: 10.7270/Q2668C78
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