Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50045186'   

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))	BDBM50045186 (4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-methoxycar...) Show SMILES COC(=O)\C=C1\CCN(CC2CN(CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)OC)C1 Show InChI InChI=1S/C22H27Cl2N3O5/c1-31-21(29)11-16-5-6-25(12-16)13-17-14-26(22(30)32-2)7-8-27(17)20(28)10-15-3-4-18(23)19(24)9-15/h3-4,9,11,17H,5-8,10,12-14H2,1-2H3/b16-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description In vitro agonist activity at kappa opioid receptor in rabbit vas deferens.				J Med Chem 36: 2075-83 (1993) BindingDB Entry DOI: 10.7270/Q2D50NKJ
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