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BDBM61758 3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)ethyl]indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]propionic acid::3-[(5Z)-5-[1-[2-(4-methoxyanilino)-2-oxoethyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid::3-[(5Z)-5-[1-[2-(4-methoxyanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::3-[(5Z)-5-[1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::MLS001083009::SMR000664813::cid_1889464

SMILES: COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1

InChI Key: InChIKey=GLOYXUFQPRVFGC-VXPUYCOJSA-N

Data: 5 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 5 hits for monomerid = 61758   
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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61758
PNG
(3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)/b20-19-
PDB

UniProtKB/SwissProt

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n/an/a 1.45E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61758
PNG
(3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)/b20-19-
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Article
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n/an/a 6.11E+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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM61758
PNG
(3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)/b20-19-
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MMDB

KEGG

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n/an/a 4.09E+4n/an/an/an/an/a25



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)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61758
PNG
(3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)/b20-19-
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n/an/a 1.38E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM61758
PNG
(3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)/b20-19-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 6.85E+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