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BDBM50395347 CHEMBL2164367

SMILES: CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=LLSVHDOQSGNTLD-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50395347   
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))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
PDB
MMDB

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PC cid
PC sid
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n/an/a 1.10E+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 9 subunit alpha


(Homo sapiens (Human))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
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n/an/a 2.10E+4n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
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n/an/a 170n/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 5 subunit alpha


(Homo sapiens (Human))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
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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
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
PDB

KEGG

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PC sid
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n/an/a 880n/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 5 subunit alpha


(Homo sapiens (Human))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
PDB

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PC cid
PC sid
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n/an/a 2.50E+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 5 subunit alpha


(Homo sapiens (Human))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+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))
BDBM50395347
PNG
(CHEMBL2164367)
Show SMILES CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+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
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair