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BDBM50267098 4-{[5-(4-Benzyloxybenzylidene)-4-oxo-2-phenyliminothiazolidin-3-yl]methyl}benzoic acid::CHEMBL477262

SMILES: OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1

InChI Key: InChIKey=VCPLDZSCCJZLMM-VFHDLGNDSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50267098   
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))
BDBM50267098
PNG
(4-{[5-(4-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-22-13-17-27(18-14-22)37-21-24-7-3-1-4-8-24)38-31(32-26-9-5-2-6-10-26)33(29)20-23-11-15-25(16-12-23)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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)
BDBM50267098
PNG
(4-{[5-(4-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-22-13-17-27(18-14-22)37-21-24-7-3-1-4-8-24)38-31(32-26-9-5-2-6-10-26)33(29)20-23-11-15-25(16-12-23)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+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))
BDBM50267098
PNG
(4-{[5-(4-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-22-13-17-27(18-14-22)37-21-24-7-3-1-4-8-24)38-31(32-26-9-5-2-6-10-26)33(29)20-23-11-15-25(16-12-23)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.15E+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))
BDBM50267098
PNG
(4-{[5-(4-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-22-13-17-27(18-14-22)37-21-24-7-3-1-4-8-24)38-31(32-26-9-5-2-6-10-26)33(29)20-23-11-15-25(16-12-23)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+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