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BDBM50395366 CHEMBL2164373

SMILES: FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1

InChI Key: InChIKey=WUWWZGBSJORNNV-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 = 50395366   
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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a 1.40E+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)
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a 74n/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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a 1.00E+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 -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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a 92n/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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a 1.40E+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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a 110n/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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a>3.10E+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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
PDB

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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))
BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
PDB

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n/an/a 6.90E+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