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BDBM61650 4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid::MLS001083039::SMR000664854::cid_2269231

SMILES: OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1

InChI Key: InChIKey=WYDALEWSLMNXDW-WQRHYEAKSA-N

Data: 10 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 10 hits for monomerid = 61650   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 563n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 2.00E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 1.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12327
BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 4.07E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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Burnham Center for Chemical Genomics

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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))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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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))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 1.21E+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
Thrombin


(Bos taurus (Bovine))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 3.89E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 9.14E+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