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BDBM50336334 (S)-2-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)-3-(4-hydroxyphenyl)propanoic acid::CHEMBL1667962

SMILES: OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1

InChI Key: InChIKey=KQCGNMQJSGNNRT-AGDOHHJYNA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50336334   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50336334
PNG
((S)-2-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1
Show InChI InChI=1/C19H18N4O4/c24-16-8-6-13(7-9-16)10-17(19(26)27)23-12-15(21-22-23)11-20-18(25)14-4-2-1-3-5-14/h1-9,12,17,24H,10-11H2,(H,20,25)(H,26,27)/t17-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SHP2 by pNPP hydrolysis assay


Bioorg Med Chem Lett 21: 1092-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.126
BindingDB Entry DOI: 10.7270/Q2D79BP8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50336334
PNG
((S)-2-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1
Show InChI InChI=1/C19H18N4O4/c24-16-8-6-13(7-9-16)10-17(19(26)27)23-12-15(21-22-23)11-20-18(25)14-4-2-1-3-5-14/h1-9,12,17,24H,10-11H2,(H,20,25)(H,26,27)/t17-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human LAR by pNPP hydrolysis assay


Bioorg Med Chem Lett 21: 1092-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.126
BindingDB Entry DOI: 10.7270/Q2D79BP8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50336334
PNG
((S)-2-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1
Show InChI InChI=1/C19H18N4O4/c24-16-8-6-13(7-9-16)10-17(19(26)27)23-12-15(21-22-23)11-20-18(25)14-4-2-1-3-5-14/h1-9,12,17,24H,10-11H2,(H,20,25)(H,26,27)/t17-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SHP1 by pNPP hydrolysis assay


Bioorg Med Chem Lett 21: 1092-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.126
BindingDB Entry DOI: 10.7270/Q2D79BP8
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50336334
PNG
((S)-2-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1
Show InChI InChI=1/C19H18N4O4/c24-16-8-6-13(7-9-16)10-17(19(26)27)23-12-15(21-22-23)11-20-18(25)14-4-2-1-3-5-14/h1-9,12,17,24H,10-11H2,(H,20,25)(H,26,27)/t17-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human CDC25B by pNPP hydrolysis assay


Bioorg Med Chem Lett 21: 1092-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.126
BindingDB Entry DOI: 10.7270/Q2D79BP8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50336334
PNG
((S)-2-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1
Show InChI InChI=1/C19H18N4O4/c24-16-8-6-13(7-9-16)10-17(19(26)27)23-12-15(21-22-23)11-20-18(25)14-4-2-1-3-5-14/h1-9,12,17,24H,10-11H2,(H,20,25)(H,26,27)/t17-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human TCPTP by pNPP hydrolysis assay


Bioorg Med Chem Lett 21: 1092-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.126
BindingDB Entry DOI: 10.7270/Q2D79BP8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50336334
PNG
((S)-2-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1
Show InChI InChI=1/C19H18N4O4/c24-16-8-6-13(7-9-16)10-17(19(26)27)23-12-15(21-22-23)11-20-18(25)14-4-2-1-3-5-14/h1-9,12,17,24H,10-11H2,(H,20,25)(H,26,27)/t17-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B by pNPP hydrolysis assay


Bioorg Med Chem Lett 21: 1092-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.126
BindingDB Entry DOI: 10.7270/Q2D79BP8
More data for this
Ligand-Target Pair