BDBM50395341 CHEMBL2164042

SMILES: Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1

InChI Key: InChIKey=FLMWTINNGMAPSE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50395341   

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))	BDBM50395341 (CHEMBL2164042) Show SMILES Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1 Show InChI InChI=1S/C23H18F4N4O3/c24-15-12-28-19(29-13-15)8-9-31-20(17-6-1-2-7-18(17)22(31)33)21(32)30-11-14-4-3-5-16(10-14)34-23(25,26)27/h1-7,10,12-13,20H,8-9,11H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395341 (CHEMBL2164042) Show SMILES Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1 Show InChI InChI=1S/C23H18F4N4O3/c24-15-12-28-19(29-13-15)8-9-31-20(17-6-1-2-7-18(17)22(31)33)21(32)30-11-14-4-3-5-16(10-14)34-23(25,26)27/h1-7,10,12-13,20H,8-9,11H2,(H,30,32)	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	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in CHOK1 cells by IonWorks HT assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50395341 (CHEMBL2164042) Show SMILES Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1 Show InChI InChI=1S/C23H18F4N4O3/c24-15-12-28-19(29-13-15)8-9-31-20(17-6-1-2-7-18(17)22(31)33)21(32)30-11-14-4-3-5-16(10-14)34-23(25,26)27/h1-7,10,12-13,20H,8-9,11H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Sodium channel protein type 2 alpha subunit (Homo sapiens (Human))	BDBM50395341 (CHEMBL2164042) Show SMILES Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1 Show InChI InChI=1S/C23H18F4N4O3/c24-15-12-28-19(29-13-15)8-9-31-20(17-6-1-2-7-18(17)22(31)33)21(32)30-11-14-4-3-5-16(10-14)34-23(25,26)27/h1-7,10,12-13,20H,8-9,11H2,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human NaV1.2 alpha subunit expressed in CHOK1 cells at -65 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50395341 (CHEMBL2164042) Show SMILES Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1 Show InChI InChI=1S/C23H18F4N4O3/c24-15-12-28-19(29-13-15)8-9-31-20(17-6-1-2-7-18(17)22(31)33)21(32)30-11-14-4-3-5-16(10-14)34-23(25,26)27/h1-7,10,12-13,20H,8-9,11H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair