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1 similar compounds to monomer 50088047

Compile data set for download or QSAR
Wt: 576.7
BDBM50088046

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50088046   
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))
BDBM50088046
PNG
(CHEMBL3427127)
Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccccc2C(=O)c2ccccc2)OC1=O
Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-23-19-18-22-27(28)32(37)26-20-15-14-16-21-26/h14-16,18-23,30,38H,2-13,17,24-25H2,1H3
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PC cid
PC sid
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in...


Eur J Med Chem 97: 42-54 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.036
BindingDB Entry DOI: 10.7270/Q2TF002F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50088046
PNG
(CHEMBL3427127)
Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccccc2C(=O)c2ccccc2)OC1=O
Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-23-19-18-22-27(28)32(37)26-20-15-14-16-21-26/h14-16,18-23,30,38H,2-13,17,24-25H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of full length 6-His-N-terminal tagged human LMW-PTP expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP a...


Eur J Med Chem 97: 42-54 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.036
BindingDB Entry DOI: 10.7270/Q2TF002F
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50088046
PNG
(CHEMBL3427127)
Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccccc2C(=O)c2ccccc2)OC1=O
Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-23-19-18-22-27(28)32(37)26-20-15-14-16-21-26/h14-16,18-23,30,38H,2-13,17,24-25H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...


Eur J Med Chem 97: 42-54 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.036
BindingDB Entry DOI: 10.7270/Q2TF002F
More data for this
Ligand-Target Pair