BDBM50418775 CHEMBL1797413

SMILES: Cc1onc(c1CC(=O)NCc1cccc(OCCOCC(F)(F)F)n1)-c1c(C)cccc1C

InChI Key: InChIKey=JUYDFOZPLNPPHM-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 = 50418775   

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))	BDBM50418775 (CHEMBL1797413) Show SMILES Cc1onc(c1CC(=O)NCc1cccc(OCCOCC(F)(F)F)n1)-c1c(C)cccc1C |(5.05,-11.78,;3.92,-12.83,;2.41,-12.53,;1.67,-13.88,;2.72,-15.01,;4.12,-14.35,;5.46,-15.1,;6.78,-14.31,;6.76,-12.77,;8.13,-15.05,;9.45,-14.26,;10.8,-15.01,;12.1,-14.21,;13.45,-14.95,;13.48,-16.5,;12.16,-17.29,;12.17,-18.85,;13.52,-19.61,;14.84,-18.82,;16.18,-19.58,;17.51,-18.8,;18.85,-19.55,;20.18,-18.77,;18.87,-21.09,;20.18,-20.32,;10.81,-16.54,;2.42,-16.52,;3.59,-17.51,;5.04,-17,;3.3,-19.02,;1.84,-19.53,;.68,-18.52,;.97,-17.01,;-.19,-16,)| Show InChI InChI=1S/C24H26F3N3O4/c1-15-6-4-7-16(2)22(15)23-19(17(3)34-30-23)12-20(31)28-13-18-8-5-9-21(29-18)33-11-10-32-14-24(25,26)27/h4-9H,10-14H2,1-3H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	58.9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay				Bioorg Med Chem Lett 21: 3871-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.041 BindingDB Entry DOI: 10.7270/Q21837RK
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50418775 (CHEMBL1797413) Show SMILES Cc1onc(c1CC(=O)NCc1cccc(OCCOCC(F)(F)F)n1)-c1c(C)cccc1C |(5.05,-11.78,;3.92,-12.83,;2.41,-12.53,;1.67,-13.88,;2.72,-15.01,;4.12,-14.35,;5.46,-15.1,;6.78,-14.31,;6.76,-12.77,;8.13,-15.05,;9.45,-14.26,;10.8,-15.01,;12.1,-14.21,;13.45,-14.95,;13.48,-16.5,;12.16,-17.29,;12.17,-18.85,;13.52,-19.61,;14.84,-18.82,;16.18,-19.58,;17.51,-18.8,;18.85,-19.55,;20.18,-18.77,;18.87,-21.09,;20.18,-20.32,;10.81,-16.54,;2.42,-16.52,;3.59,-17.51,;5.04,-17,;3.3,-19.02,;1.84,-19.53,;.68,-18.52,;.97,-17.01,;-.19,-16,)| Show InChI InChI=1S/C24H26F3N3O4/c1-15-6-4-7-16(2)22(15)23-19(17(3)34-30-23)12-20(31)28-13-18-8-5-9-21(29-18)33-11-10-32-14-24(25,26)27/h4-9H,10-14H2,1-3H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Nav1.5 by cell based whole-cell voltage clamp electrophysiology assay				Bioorg Med Chem Lett 21: 3871-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.041 BindingDB Entry DOI: 10.7270/Q21837RK
					More data for this Ligand-Target Pair