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BDBM50267070 4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenyliminothiazolidin-3-yl]methyl}benzoic acid::CHEMBL514239

SMILES: OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1

InChI Key: InChIKey=MPQXUNZUKGEJKK-VFHDLGNDSA-N

Data: 4 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 4 hits for monomerid = 50267070   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Saccharomyces cerevisiae)
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae Ltp1


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50267070
PNG
(4-{[5-(3-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-24-10-7-13-27(18-24)37-21-23-8-3-1-4-9-23)38-31(32-26-11-5-2-6-12-26)33(29)20-22-14-16-25(17-15-22)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LMW PTP1B IF1 isoform


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair