Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50266917'   

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))	BDBM50266917 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(C)nn1 |r| Show InChI InChI=1S/C22H29N3O7/c1-11(26)31-15-8-13(19(28)30-5)21(2)7-6-12-20(29)32-16(14-10-25(4)24-23-14)9-22(12,3)18(21)17(15)27/h10,12-13,15-16,18H,6-9H2,1-5H3/t12-,13-,15-,16-,18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1301-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.078 BindingDB Entry DOI: 10.7270/Q2MP546B
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