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BDBM50395368 CHEMBL2164371

SMILES: FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1

InChI Key: InChIKey=ICGMZCVSHDKQTE-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50395368   
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))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a>3.30E+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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a>3.30E+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
More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat 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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a 3.80E+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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a 410n/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
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a>3.30E+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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a 370n/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
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a>3.30E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a>3.00E+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
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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n/an/a>3.30E+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
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395368
PNG
(CHEMBL2164371)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
PDB

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n/an/a 2.00E+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 -65 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
More data for this
Ligand-Target Pair