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BDBM46274 2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]ethanoic acid::2-[2,6-dichloro-4-[(Z)-[2,4-diketo-3-[2-keto-2-(p-toluidino)ethyl]thiazolidin-5-ylidene]methyl]phenoxy]acetic acid::2-[2,6-dichloro-4-[(Z)-[3-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid::2-[2,6-dichloro-4-[(Z)-[3-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]phenoxy]acetic acid::MLS-0349987.0001::cid_1796598

SMILES: Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1

InChI Key: InChIKey=JXYIXQGHGKYZLG-PXNMLYILSA-N

Data: 9 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 9 hits for monomerid = 46274   
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))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 1.20E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 8.11E+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)


Article DOI: 10.1021/cb4002602
BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 819n/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
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 1.36E+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)


Article DOI: 10.1016/j.bioorg.2013.11.005
BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 2.50E+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 (2011)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 4.09E+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, 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))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 596n/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 12 isoform 2


(Homo sapiens (Human))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 2.79E+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))
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 3.95E+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/Q2QZ28FP
More data for this
Ligand-Target Pair