Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM144359'   

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))	BDBM144359 (US8969358, 110) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C29H39N3O5/c1-16(31-17(2)33)25(35)30-14-20-13-27-8-9-29(20,36-3)26-28(27)10-11-32(15-18-4-5-18)22(27)12-19-6-7-21(34)24(37-26)23(19)28/h6-7,16,18,20,22,26,34H,4-5,8-15H2,1-3H3,(H,30,35)(H,31,33)/t16-,20+,22+,26+,27+,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.350	-50.2	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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