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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50362181'   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50362181
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C38H27Br2F4N3O7P2/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)55(49,50)51)20-36(35(48)24-6-2-1-3-7-24,47-34-9-5-4-8-33(34)45-46-47)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)56(52,53)54/h1-19H,20-21H2,(H2,49,50,51)(H2,52,53,54)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay


Bioorg Med Chem Lett 22: 1111-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.122
BindingDB Entry DOI: 10.7270/Q2ZS2X05
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50362181
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C38H27Br2F4N3O7P2/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)55(49,50)51)20-36(35(48)24-6-2-1-3-7-24,47-34-9-5-4-8-33(34)45-46-47)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)56(52,53)54/h1-19H,20-21H2,(H2,49,50,51)(H2,52,53,54)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...


ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair