new BindingDB logo
myBDB logout

BDBM46271 2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4-keto-2-thiazolin-5-ylidene]methyl]phenoxy]acetic acid ethyl ester::2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4-oxo-5-thiazolylidene]methyl]phenoxy]acetic acid ethyl ester::MLS-0425586.0001::cid_1209230::ethyl 2-[2-chloranyl-6-ethoxy-4-[(E)-[2-[(4-fluorophenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenoxy]ethanoate::ethyl 2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenoxy]acetate

SMILES: CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC

InChI Key: InChIKey=ZGDFFSNVJPHUFQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 46271   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21N7ZJW
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.35E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BR8QNJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.48E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair