BDBM190557 US9181185, 7::US9624194, Compound 7

SMILES: CNC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12

InChI Key: InChIKey=UUJHOVATONWEQU-YADHBBJMSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 190557   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM190557 (US9181185, 7 | US9624194, Compound 7) Show SMILES CNC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C24H20F3N3O4/c1-28-23(33)22(32)21(31)18-13-30(19-5-3-2-4-17(18)19)15-7-9-16(10-8-15)34-20-11-6-14(12-29-20)24(25,26)27/h2-13,21-22,31-32H,1H3,(H,28,33)/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...				US Patent US9624194 (2017) BindingDB Entry DOI: 10.7270/Q2BP04VG
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190557 (US9181185, 7 | US9624194, Compound 7) Show SMILES CNC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C24H20F3N3O4/c1-28-23(33)22(32)21(31)18-13-30(19-5-3-2-4-17(18)19)15-7-9-16(10-8-15)34-20-11-6-14(12-29-20)24(25,26)27/h2-13,21-22,31-32H,1H3,(H,28,33)/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	37
Purdue Pharma L.P. US Patent					Assay Description FLIPR® or FLIPRTETRA® Sodium Dye Assay with KCl and Test Article Pre-Incubation: Cells were prepared by plating the recombinant HEK293 cells or other...				US Patent US9181185 (2015) BindingDB Entry DOI: 10.7270/Q2PC315D
					More data for this Ligand-Target Pair