BDBM185955 US9163008, 44::US9656968, Compound 44

SMILES: CC(C)(O)CNc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O

InChI Key: InChIKey=KNUSTXCZNIGYBZ-UHFFFAOYSA-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 = 185955   

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))	BDBM185955 (US9163008, 44 | US9656968, Compound 44) Show SMILES CC(C)(O)CNc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O Show InChI InChI=1S/C21H21FN4O3/c1-21(2,28)12-24-18-11-17(19(23)27)25-20(26-18)13-3-7-15(8-4-13)29-16-9-5-14(22)6-10-16/h3-11,28H,12H2,1-2H3,(H2,23,27)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...				US Patent US9656968 (2017) BindingDB Entry DOI: 10.7270/Q2F76FMS
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM185955 (US9163008, 44 | US9656968, Compound 44) Show SMILES CC(C)(O)CNc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O Show InChI InChI=1S/C21H21FN4O3/c1-21(2,28)12-24-18-11-17(19(23)27)25-20(26-18)13-3-7-15(8-4-13)29-16-9-5-14(22)6-10-16/h3-11,28H,12H2,1-2H3,(H2,23,27)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma, L.P. US Patent					Assay Description In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...				US Patent US9163008 (2015) BindingDB Entry DOI: 10.7270/Q2G44P21
					More data for this Ligand-Target Pair