BDBM50391488 CHEMBL2147225

SMILES: COc1ccc(CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(c1)-c1cnc(OC)nc1

InChI Key: InChIKey=XRYVLNSTGGEKSW-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 = 50391488   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391488 (CHEMBL2147225) Show SMILES COc1ccc(CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(c1)-c1cnc(OC)nc1 Show InChI InChI=1S/C23H23F3N4O4/c1-32-18-5-3-15(19(11-18)17-13-29-22(33-2)30-14-17)7-9-27-21(31)16-4-6-20(28-12-16)34-10-8-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,27,31)	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	6.31E+3	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 9 subunit alpha (Homo sapiens (Human))	BDBM50391488 (CHEMBL2147225) Show SMILES COc1ccc(CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(c1)-c1cnc(OC)nc1 Show InChI InChI=1S/C23H23F3N4O4/c1-32-18-5-3-15(19(11-18)17-13-29-22(33-2)30-14-17)7-9-27-21(31)16-4-6-20(28-12-16)34-10-8-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50391488 (CHEMBL2147225) Show SMILES COc1ccc(CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(c1)-c1cnc(OC)nc1 Show InChI InChI=1S/C23H23F3N4O4/c1-32-18-5-3-15(19(11-18)17-13-29-22(33-2)30-14-17)7-9-27-21(31)16-4-6-20(28-12-16)34-10-8-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt 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 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