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BDBM50395362 CHEMBL2164376

SMILES: FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1

InChI Key: InChIKey=IWIMOEAKEUYTRF-UHFFFAOYSA-N

Data: 4 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 = 50395362   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50395362
PNG
(CHEMBL2164376)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C21H17F5N2O3/c22-20(23)9-13(10-20)28-17(15-3-1-2-4-16(15)19(28)30)18(29)27-11-12-5-7-14(8-6-12)31-21(24,25)26/h1-8,13,17H,9-11H2,(H,27,29)
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/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))
BDBM50395362
PNG
(CHEMBL2164376)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C21H17F5N2O3/c22-20(23)9-13(10-20)28-17(15-3-1-2-4-16(15)19(28)30)18(29)27-11-12-5-7-14(8-6-12)31-21(24,25)26/h1-8,13,17H,9-11H2,(H,27,29)
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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/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 9 subunit alpha


(Homo sapiens (Human))
BDBM50395362
PNG
(CHEMBL2164376)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C21H17F5N2O3/c22-20(23)9-13(10-20)28-17(15-3-1-2-4-16(15)19(28)30)18(29)27-11-12-5-7-14(8-6-12)31-21(24,25)26/h1-8,13,17H,9-11H2,(H,27,29)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 190n/an/an/an/an/an/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395362
PNG
(CHEMBL2164376)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C21H17F5N2O3/c22-20(23)9-13(10-20)28-17(15-3-1-2-4-16(15)19(28)30)18(29)27-11-12-5-7-14(8-6-12)31-21(24,25)26/h1-8,13,17H,9-11H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/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