BindingDB logo
myBDB logout

BDBM50425814 CHEMBL2311593

SMILES: OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1

InChI Key: InChIKey=ZWEPXWAPQHFGJL-SREVYHEPSA-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 = 50425814   
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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.60E+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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.31E+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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+3n/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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 8.00E+3n/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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.70E+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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.50E+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))
BDBM50425814
PNG
(CHEMBL2311593)
Show SMILES OC(=O)c1cc2c(\C=C/c3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H14F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-12,26H,(H,27,28)/b7-6-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+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