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Articleid 50029536

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 2 subunit alpha


(Homo sapiens (Human))
BDBM50066068
PNG
(CHEMBL28853 | N-Acenaphthen-5-yl-N'-(4-methoxy-nap...)
Show SMILES COc1ccc(N=C(N)Nc2ccc3CCc4cccc2c34)c2ccccc12 |w:6.5|
Show InChI InChI=1S/C24H21N3O/c1-28-22-14-13-20(17-6-2-3-7-18(17)22)26-24(25)27-21-12-11-16-10-9-15-5-4-8-19(21)23(15)16/h2-8,11-14H,9-10H2,1H3,(H3,25,26,27)
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Article
n/an/a 1.31E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of synaptosomal sodium channels, inhibition of [14C]-guanidinium ion flux into CHO cells expressing Type II sodium channel


Bioorg Med Chem Lett 5: 2259-2262 (1995)


Article DOI: 10.1016/0960-894X(95)00392-7
BindingDB Entry DOI: 10.7270/Q200022B
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM50285278
PNG
(CHEMBL307395 | N,N'-Di-acenaphthen-5-yl-guanidine)
Show SMILES NC(Nc1ccc2CCc3cccc1c23)=Nc1ccc2CCc3cccc1c23 |w:15.18|
Show InChI InChI=1S/C25H21N3/c26-25(27-21-13-11-17-9-7-15-3-1-5-19(21)23(15)17)28-22-14-12-18-10-8-16-4-2-6-20(22)24(16)18/h1-6,11-14H,7-10H2,(H3,26,27,28)
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Article
n/an/a 2.03E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of synaptosomal sodium channels, inhibition of [14C]-guanidinium ion flux into CHO cells expressing Type II sodium channel


Bioorg Med Chem Lett 5: 2259-2262 (1995)


Article DOI: 10.1016/0960-894X(95)00392-7
BindingDB Entry DOI: 10.7270/Q200022B
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM30705
PNG
(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Show SMILES Nc1nc2ccc(OC(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
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Article
n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of synaptosomal sodium channels, inhibition of [14C]-guanidinium ion flux into CHO cells expressing Type II sodium channel


Bioorg Med Chem Lett 5: 2259-2262 (1995)


Article DOI: 10.1016/0960-894X(95)00392-7
BindingDB Entry DOI: 10.7270/Q200022B
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))
BDBM50066430
PNG
(2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...)
Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
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Article
n/an/a 2.55E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of synaptosomal sodium channels, inhibition of [14C]-guanidinium ion flux into CHO cells expressing Type II sodium channel


Bioorg Med Chem Lett 5: 2259-2262 (1995)


Article DOI: 10.1016/0960-894X(95)00392-7
BindingDB Entry DOI: 10.7270/Q200022B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%