Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50169776'   

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))	BDBM50169776 ((3S,4aS,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethyl-1,6-...) Show SMILES COC(=O)C1=CC(=O)C=C2[C@@]3(C)C[C@H](OC(=O)[C@@H]3CC[C@@]12C)c1ccoc1 |t:4,8| Show InChI InChI=1S/C21H22O6/c1-20-6-4-14-19(24)27-16(12-5-7-26-11-12)10-21(14,2)17(20)9-13(22)8-15(20)18(23)25-3/h5,7-9,11,14,16H,4,6,10H2,1-3H3/t14-,16-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 Agonistic activity against human k-opioid receptor using [3H]diprenorphine				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
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