Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM144361'   

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))	BDBM144361 (US8969358, 112) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:24.23:4.3| Show InChI InChI=1S/C26H35N3O4/c1-32-26-7-6-24(11-17(26)13-28-20(31)12-27)19-10-16-4-5-18(30)22-21(16)25(24,23(26)33-22)8-9-29(19)14-15-2-3-15/h4-5,15,17,19,23,30H,2-3,6-14,27H2,1H3,(H,28,31)/t17-,19-,23-,24-,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0700	-53.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
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