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BDBM50425813 CHEMBL2316897

SMILES: OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1

InChI Key: InChIKey=FCEHHFXUHSFLBJ-FLIBITNWSA-N

Data: 8 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 8 hits for monomerid = 50425813   
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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 5.80E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of VHR (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 1.16E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CD45 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase MEG2 (PTP-Meg2)


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 1.14E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPMEG2 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 4.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 5.10E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 9.20E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM50425813
PNG
(CHEMBL2316897)
Show SMILES OC(=O)c1cc2c(\C=C/c3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H15F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-13,28H,(H,29,30)/b11-8-
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n/an/a 4.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LYP (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair