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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)' and Ligand = 'BDBM50379825'   
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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.54E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair