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PubMed code 11229757

Compile data set for download or QSAR
Found 5 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 1/2/3 subunit alpha


(Homo sapiens (Human))
BDBM50096974
PNG
(CHEMBL41306 | N'-(2-Chloro-5-methylsulfanyl-phenyl...)
Show SMILES CSc1cccc(c1)N(C)C(N)=Nc1cc(SC)ccc1Cl |w:12.13|
Show InChI InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
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PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of trypsin


Bioorg Med Chem Lett 11: 501-4 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7HVQ
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Homo sapiens (Human))
BDBM50096972
PNG
(CHEMBL422495 | N'-(2-Chloro-5-methanesulfinyl-phen...)
Show SMILES CN(C(N)=Nc1cc(ccc1Cl)S(C)=O)c1cccc(c1)S(C)=O |w:4.4|
Show InChI InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
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PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A protease


Bioorg Med Chem Lett 11: 501-4 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7HVQ
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Homo sapiens (Human))
BDBM50366770
PNG
(CHEMBL539841)
Show SMILES CSc1cccc(c1)N(C)C(N)=Nc1cc(ccc1Cl)S(C)=O |w:12.13|
Show InChI InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
PDB

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PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Neuronal sodium channel blocking activity by [14C]guanidinium flux assay


Bioorg Med Chem Lett 11: 501-4 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7HVQ
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Homo sapiens (Human))
BDBM50096975
PNG
(CHEMBL145968 | N'-(2-Chloro-5-methylsulfanyl-pheny...)
Show SMILES CSc1ccc(Cl)c(c1)N=C(N)N(C)c1cccc(c1)S(C)=O |w:9.9|
Show InChI InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
PDB

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UniProtKB/SwissProt

antibodypedia
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antibodypedia
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PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A protease


Bioorg Med Chem Lett 11: 501-4 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7HVQ
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Homo sapiens (Human))
BDBM50096975
PNG
(CHEMBL145968 | N'-(2-Chloro-5-methylsulfanyl-pheny...)
Show SMILES CSc1ccc(Cl)c(c1)N=C(N)N(C)c1cccc(c1)S(C)=O |w:9.9|
Show InChI InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PubMed
n/an/a 8.31E+4n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A protease


Bioorg Med Chem Lett 11: 501-4 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7HVQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%