Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM142702'   

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))	BDBM142702 (US8937084, 4) Show SMILES NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O |r| Show InChI InChI=1S/C21H27N3O3/c22-19(26)12-24-11-17-18-7-14-3-4-15(25)8-16(14)21(17,9-20(24)27)5-6-23(18)10-13-1-2-13/h3-4,8,13,17-18,25H,1-2,5-7,9-12H2,(H2,22,26)/t17-,18+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.550	-57.3	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US8937084 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8C5C
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