Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50092515'   

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))	BDBM50092515 (3-((3-Hydroxy-phenyl)-{[(3-hydroxy-phenyl)-methoxy...) Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(O)c1)c1cccc(O)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8| Show InChI InChI=1S/C25H28N2O7/c1-26-13-24(22(31)33-3)19(15-7-5-9-17(28)11-15)27(2)20(16-8-6-10-18(29)12-16)25(14-26,21(24)30)23(32)34-4/h5-12,19-20,28-29H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1				J Med Chem 43: 3746-51 (2000) BindingDB Entry DOI: 10.7270/Q2H41QPP
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