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BDBM50395333 CHEMBL2164389

SMILES: FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1

InChI Key: InChIKey=BECROBIDPQYXRW-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 50395333   
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
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 1.80E+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)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 4.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 55: 6866-80 (2012)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 1.20E+3n/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)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 4.60E+3n/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)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 7.80E+3n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(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)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 80n/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)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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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 -90 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 1.40E+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)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 53n/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)

More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 160n/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)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 8.10E+3n/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)

More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens)
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of KCNQ2


J Med Chem 55: 6866-80 (2012)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


J Med Chem 55: 6866-80 (2012)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 730n/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)

More data for this
Ligand-Target Pair