BDBM50391500 CHEMBL2147308

SMILES: COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1

InChI Key: InChIKey=FXZYWCNWWRAMSO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50391500   

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))	BDBM50391500 (CHEMBL2147308) Show SMILES COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1 Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-30-18(9-31-19)20-15(16(23)4-5-17(20)24)6-7-28-21(32)13-2-3-14(29-8-13)11-34-12-22(25,26)27/h2-5,8-10H,6-7,11-12H2,1H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay				Bioorg Med Chem Lett 22: 6108-15 (2012) Article DOI: 10.1016/j.bmcl.2012.08.031 BindingDB Entry DOI: 10.7270/Q2B8596S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391500 (CHEMBL2147308) Show SMILES COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1 Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-30-18(9-31-19)20-15(16(23)4-5-17(20)24)6-7-28-21(32)13-2-3-14(29-8-13)11-34-12-22(25,26)27/h2-5,8-10H,6-7,11-12H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG channel by whole cell voltage-clamp electrophysiology assay				Bioorg Med Chem Lett 22: 6108-15 (2012) Article DOI: 10.1016/j.bmcl.2012.08.031 BindingDB Entry DOI: 10.7270/Q2B8596S
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50391500 (CHEMBL2147308) Show SMILES COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1 Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-30-18(9-31-19)20-15(16(23)4-5-17(20)24)6-7-28-21(32)13-2-3-14(29-8-13)11-34-12-22(25,26)27/h2-5,8-10H,6-7,11-12H2,1H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human Nav1.5				Bioorg Med Chem Lett 22: 6108-15 (2012) Article DOI: 10.1016/j.bmcl.2012.08.031 BindingDB Entry DOI: 10.7270/Q2B8596S
					More data for this Ligand-Target Pair