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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 5 subunit alpha' and Ligand = 'BDBM50008745'   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50008745
PNG
(CHEMBL3236329)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)35-16-5-3-4-15(12-16)21(34)28-13-19-29-22(36-31-19)20-17-6-1-2-7-18(17)30-33(20)11-10-32-9-8-27-14-32/h1-9,12,14H,10-11,13H2,(H,28,34)
PDB

KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 920n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 assessed as inactivated-state block by patch-clamp electrophysiology/cell based assay


J Med Chem 57: 2942-52 (2014)


Article DOI: 10.1021/jm401881q
BindingDB Entry DOI: 10.7270/Q2CZ38QJ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50008745
PNG
(CHEMBL3236329)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)35-16-5-3-4-15(12-16)21(34)28-13-19-29-22(36-31-19)20-17-6-1-2-7-18(17)30-33(20)11-10-32-9-8-27-14-32/h1-9,12,14H,10-11,13H2,(H,28,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 assessed as 10 Hz block by patch-clamp electrophysiology/cell based assay


J Med Chem 57: 2942-52 (2014)


Article DOI: 10.1021/jm401881q
BindingDB Entry DOI: 10.7270/Q2CZ38QJ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50008745
PNG
(CHEMBL3236329)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)35-16-5-3-4-15(12-16)21(34)28-13-19-29-22(36-31-19)20-17-6-1-2-7-18(17)30-33(20)11-10-32-9-8-27-14-32/h1-9,12,14H,10-11,13H2,(H,28,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 assessed as tonic block by patch-clamp electrophysiology/cell based assay


J Med Chem 57: 2942-52 (2014)


Article DOI: 10.1021/jm401881q
BindingDB Entry DOI: 10.7270/Q2CZ38QJ
More data for this
Ligand-Target Pair