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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 = 'BDBM50444695'   
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))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair