new BindingDB logo
myBDB logout

BDBM46280 2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5-ylidene]methyl]phenoxy]acetic acid::2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenoxy]acetic acid::2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-5-thiazolylidene]methyl]phenoxy]acetic acid::2-[4-[(Z)-[2-[(4-ethylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenoxy]ethanoic acid::MLS-0425605.0001::cid_5765582

SMILES: CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1

InChI Key: InChIKey=DHKDSAZMDDILMH-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 46280   
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))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.07E+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))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.53E+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/Q21N7ZJW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.17E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.29E+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))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.25E+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))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.43E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.04E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.52E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.71E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.26E+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/Q28G8J5T
More data for this
Ligand-Target Pair