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PubMed code 25064350

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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055236
PNG
(CHEMBL3317596)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(cc2)[N+]([O-])=O)c1C(=O)OCC
Show InChI InChI=1S/C17H17N3O6S/c1-3-25-16(21)12-13(17(22)26-4-2)15(27-14(12)18)19-9-10-5-7-11(8-6-10)20(23)24/h5-9H,3-4,18H2,1-2H3/b19-9+
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Article
PubMed
n/an/a 6.43E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055237
PNG
(CHEMBL3317599)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(Br)cc2)c1C(=O)OCC
Show InChI InChI=1S/C17H17BrN2O4S/c1-3-23-16(21)12-13(17(22)24-4-2)15(25-14(12)19)20-9-10-5-7-11(18)8-6-10/h5-9H,3-4,19H2,1-2H3/b20-9+
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Article
PubMed
n/an/a 6.54E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055240
PNG
(CHEMBL3317604)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(o2)[N+]([O-])=O)c1C(=O)OCC
Show InChI InChI=1S/C15H15N3O7S/c1-3-23-14(19)10-11(15(20)24-4-2)13(26-12(10)16)17-7-8-5-6-9(25-8)18(21)22/h5-7H,3-4,16H2,1-2H3/b17-7+
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Article
PubMed
n/an/a 7.12E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055238
PNG
(CHEMBL3317602)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(cc2)N(C)C)c1C(=O)OCC
Show InChI InChI=1S/C19H23N3O4S/c1-5-25-18(23)14-15(19(24)26-6-2)17(27-16(14)20)21-11-12-7-9-13(10-8-12)22(3)4/h7-11H,5-6,20H2,1-4H3/b21-11+
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Article
PubMed
n/an/a 7.32E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055242
PNG
(CHEMBL3317605)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2cccs2)c1C(=O)OCC
Show InChI InChI=1S/C15H16N2O4S2/c1-3-20-14(18)10-11(15(19)21-4-2)13(23-12(10)16)17-8-9-6-5-7-22-9/h5-8H,3-4,16H2,1-2H3/b17-8+
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Article
PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%