Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 7346   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190561 (US9181185, 19 | US9624194, Compound 19) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	347	-38.4	n/a	n/a	n/a	n/a	n/a	n/a	37
Purdue Pharma L.P. US Patent					Assay Description Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Media...				US Patent US9181185 (2015) BindingDB Entry DOI: 10.7270/Q2PC315D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190560 (US9181185, 15 | US9624194, Compound 15) Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	917	-35.8	n/a	n/a	n/a	n/a	n/a	n/a	37
Purdue Pharma L.P. US Patent					Assay Description Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Media...				US Patent US9181185 (2015) BindingDB Entry DOI: 10.7270/Q2PC315D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190562 (US9181185, 26 | US9624194, Compound 26) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1ccnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-10-9-15(23-19)16(24)17(25)18(21)26/h1-10,16-17,24-25H,(H2,21,26)/t16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.26E+3	-33.5	n/a	n/a	n/a	n/a	n/a	n/a	37
Purdue Pharma L.P. US Patent					Assay Description Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Media...				US Patent US9181185 (2015) BindingDB Entry DOI: 10.7270/Q2PC315D
					More data for this Ligand-Target Pair