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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50017659'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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KEGG

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Article
PubMed
500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

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Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(3-(4-(4-(Benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)-phenyl)acetamide from human Nav1.7 expressed in human HEK293 cells...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

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CHEMBL
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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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KEGG
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PC sid
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in CHO-K1 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp ...


Bioorg Med Chem Lett 27: 4979-4984 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.010
BindingDB Entry DOI: 10.7270/Q2NS0XGW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by voltage-patch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 620n/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))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 7.51E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay


Bioorg Med Chem Lett 21: 3676-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ
More data for this
Ligand-Target Pair