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BDBM51141 2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]ethanoic acid::2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid::2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)imino-4-oxo-5-thiazolidinylidene]methyl]phenoxy]acetic acid::2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-4-keto-2-(4-methoxyphenyl)imino-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid::MLS000704894::SMR000231644::[4-({3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid::cid_5995173

SMILES: COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12

InChI Key: InChIKey=WZPMXNLVZLIWBV-VHOCVAHHSA-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 = 51141   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 1.79E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 2.43E+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)


Article DOI: 10.1021/cb400100g
BindingDB Entry DOI: 10.7270/Q29G5K79
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 9.90E+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/Q2GQ6W6X
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 7.57E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


Article DOI: 10.1021/cb400452z
BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a<1.24E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 9.90E+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/Q2VM49Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a<1.24E+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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 2.52E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 3.49E+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/Q2445JXV
More data for this
Ligand-Target Pair