BDBM185953 US9163008, 42::US9656968, Compound 42

SMILES: C[C@@H](CO)Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O

InChI Key: InChIKey=ATRLVPLKGMTSHY-LBPRGKRZSA-N

Data: 2 KI  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 4 hits for monomerid = 185953   

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))	BDBM185953 (US9163008, 42 | US9656968, Compound 42) Show SMILES C[C@@H](CO)Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-12(11-26)23-18-10-17(19(22)27)24-20(25-18)13-2-6-15(7-3-13)28-16-8-4-14(21)5-9-16/h2-10,12,26H,11H2,1H3,(H2,22,27)(H,23,24,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay Description For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...				US Patent US9163008 (2015) BindingDB Entry DOI: 10.7270/Q2G44P21
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM185953 (US9163008, 42 | US9656968, Compound 42) Show SMILES C[C@@H](CO)Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-12(11-26)23-18-10-17(19(22)27)24-20(25-18)13-2-6-15(7-3-13)28-16-8-4-14(21)5-9-16/h2-10,12,26H,11H2,1H3,(H2,22,27)(H,23,24,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA 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 (Mediate...				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))	BDBM185953 (US9163008, 42 | US9656968, Compound 42) Show SMILES C[C@@H](CO)Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-12(11-26)23-18-10-17(19(22)27)24-20(25-18)13-2-6-15(7-3-13)28-16-8-4-14(21)5-9-16/h2-10,12,26H,11H2,1H3,(H2,22,27)(H,23,24,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	69	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))	BDBM185953 (US9163008, 42 | US9656968, Compound 42) Show SMILES C[C@@H](CO)Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-12(11-26)23-18-10-17(19(22)27)24-20(25-18)13-2-6-15(7-3-13)28-16-8-4-14(21)5-9-16/h2-10,12,26H,11H2,1H3,(H2,22,27)(H,23,24,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	69	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