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BDBM50142310 CHEMBL9087::{[4-((E)-2-Benzoyl-2,5-diphenyl-pent-4-enyl)-phenyl]-difluoro-methyl}-phosphonic acid

SMILES: OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=YXZIPKWVAWBGPL-JLHYYAGUNA-N

Data: 3 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 3 hits for monomerid = 50142310   
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))
BDBM50142310
PNG
(CHEMBL9087 | {[4-((E)-2-Benzoyl-2,5-diphenyl-pent-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1/C31H27F2O4P/c32-31(33,38(35,36)37)28-20-18-25(19-21-28)23-30(27-16-8-3-9-17-27,29(34)26-14-6-2-7-15-26)22-10-13-24-11-4-1-5-12-24/h1-21H,22-23H2,(H2,35,36,37)/b13-10+
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PubMed
n/an/a 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50142310
PNG
(CHEMBL9087 | {[4-((E)-2-Benzoyl-2,5-diphenyl-pent-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1/C31H27F2O4P/c32-31(33,38(35,36)37)28-20-18-25(19-21-28)23-30(27-16-8-3-9-17-27,29(34)26-14-6-2-7-15-26)22-10-13-24-11-4-1-5-12-24/h1-21H,22-23H2,(H2,35,36,37)/b13-10+
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142310
PNG
(CHEMBL9087 | {[4-((E)-2-Benzoyl-2,5-diphenyl-pent-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1/C31H27F2O4P/c32-31(33,38(35,36)37)28-20-18-25(19-21-28)23-30(27-16-8-3-9-17-27,29(34)26-14-6-2-7-15-26)22-10-13-24-11-4-1-5-12-24/h1-21H,22-23H2,(H2,35,36,37)/b13-10+
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair