Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM147188'   

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))	BDBM147188 (US8957084, 1) Show SMILES COc1ccc2C[C@@H]3C4C5CC5C(=O)C[C@]4(CCN3CC3CC3)c2c1 |r,w:9.8,TEB:9:8:6.5.23:16.18.17| Show InChI InChI=1S/C22H27NO2/c1-25-15-5-4-14-8-19-21-17-10-16(17)20(24)11-22(21,18(14)9-15)6-7-23(19)12-13-2-3-13/h4-5,9,13,16-17,19,21H,2-3,6-8,10-12H2,1H3/t16?,17?,19-,21?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.87	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...				US Patent US8957084 (2015) BindingDB Entry DOI: 10.7270/Q21Z433P
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