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5 similar compounds to monomer 53072

Compile data set for download or QSAR
Wt: 428.5
BDBM40458
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Wt: 416.5
BDBM40464
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Wt: 384.5
BDBM51002
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Wt: 380.5
BDBM53061
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Wt: 364.5
BDBM53063
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 40458,40464,51002,53061,53063   
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
Collagenase


(Homo sapiens (Human))
BDBM40458
PNG
(3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O4S4/c1-2-8-18-14(19)13(25-16(18)23)15-17(9-5-10-26(20,21)22)11-6-3-4-7-12(11)24-15/h2-4,6-7H,1,5,8-10H2,(H,20,21,22)/b15-13-
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n/an/a 1.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2JW8C95
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40464
PNG
(3-[(2Z)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
Show InChI InChI=1S/C15H16N2O4S4/c1-2-16-13(18)12(24-15(16)22)14-17(8-5-9-25(19,20)21)10-6-3-4-7-11(10)23-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,20,21)/b14-12-
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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Florida Atlantic University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 expressed in Escherichia coli


Bioorg Med Chem 17: 990-1005 (2009)


Article DOI: 10.1016/j.bmc.2008.03.004
BindingDB Entry DOI: 10.7270/Q2GB24ZC
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53061
PNG
((5Z)-3-butyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol...)
Show SMILES CCCCN1C(=S)S\C(C1=O)=C1/Sc2ccc(OC)cc2N1CC
Show InChI InChI=1S/C17H20N2O2S3/c1-4-6-9-19-15(20)14(24-17(19)22)16-18(5-2)12-10-11(21-3)7-8-13(12)23-16/h7-8,10H,4-6,9H2,1-3H3/b16-14-
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53063
PNG
((5Z)-3-allyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol...)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-4-8-18-14(19)13(23-16(18)21)15-17(5-2)11-9-10(20-3)6-7-12(11)22-15/h4,6-7,9H,1,5,8H2,2-3H3/b15-13-
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM51002
PNG
((5E)-3-benzyl-5-(3-ethyl-1,3-benzothiazol-2-yliden...)
Show SMILES CCN1\C(Sc2ccccc12)=C1/SC(=S)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H16N2OS3/c1-2-20-14-10-6-7-11-15(14)24-18(20)16-17(22)21(19(23)25-16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/b18-16+
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n/an/a 3.68E+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
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53061
PNG
((5Z)-3-butyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol...)
Show SMILES CCCCN1C(=S)S\C(C1=O)=C1/Sc2ccc(OC)cc2N1CC
Show InChI InChI=1S/C17H20N2O2S3/c1-4-6-9-19-15(20)14(24-17(19)22)16-18(5-2)12-10-11(21-3)7-8-13(12)23-16/h7-8,10H,4-6,9H2,1-3H3/b16-14-
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53063
PNG
((5Z)-3-allyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol...)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-4-8-18-14(19)13(23-16(18)21)15-17(5-2)11-9-10(20-3)6-7-12(11)22-15/h4,6-7,9H,1,5,8H2,2-3H3/b15-13-
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM40464
PNG
(3-[(2Z)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
Show InChI InChI=1S/C15H16N2O4S4/c1-2-16-13(18)12(24-15(16)22)14-17(8-5-9-25(19,20)21)10-6-3-4-7-11(10)23-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,20,21)/b14-12-
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM51002
PNG
((5E)-3-benzyl-5-(3-ethyl-1,3-benzothiazol-2-yliden...)
Show SMILES CCN1\C(Sc2ccccc12)=C1/SC(=S)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H16N2OS3/c1-2-20-14-10-6-7-11-15(14)24-18(20)16-17(22)21(19(23)25-16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/b18-16+
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM40464
PNG
(3-[(2Z)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
Show InChI InChI=1S/C15H16N2O4S4/c1-2-16-13(18)12(24-15(16)22)14-17(8-5-9-25(19,20)21)10-6-3-4-7-11(10)23-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,20,21)/b14-12-
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n/an/an/an/a 1.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM53063
PNG
((5Z)-3-allyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol...)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-4-8-18-14(19)13(23-16(18)21)15-17(5-2)11-9-10(20-3)6-7-12(11)22-15/h4,6-7,9H,1,5,8H2,2-3H3/b15-13-
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n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM40458
PNG
(3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O4S4/c1-2-8-18-14(19)13(25-16(18)23)15-17(9-5-10-26(20,21)22)11-6-3-4-7-12(11)24-15/h2-4,6-7H,1,5,8-10H2,(H,20,21,22)/b15-13-
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n/an/a 5.11E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM53063
PNG
((5Z)-3-allyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol...)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-4-8-18-14(19)13(23-16(18)21)15-17(5-2)11-9-10(20-3)6-7-12(11)22-15/h4,6-7,9H,1,5,8H2,2-3H3/b15-13-
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n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM53063
PNG
((5Z)-3-allyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol...)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-4-8-18-14(19)13(23-16(18)21)15-17(5-2)11-9-10(20-3)6-7-12(11)22-15/h4,6-7,9H,1,5,8H2,2-3H3/b15-13-
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n/an/an/an/a>5.30E+4n/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/Q2VX0F3D
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM40458
PNG
(3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O4S4/c1-2-8-18-14(19)13(25-16(18)23)15-17(9-5-10-26(20,21)22)11-6-3-4-7-12(11)24-15/h2-4,6-7H,1,5,8-10H2,(H,20,21,22)/b15-13-
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n/an/a>6.60E+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/Q2ZW1JJF
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM40458
PNG
(3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O4S4/c1-2-8-18-14(19)13(25-16(18)23)15-17(9-5-10-26(20,21)22)11-6-3-4-7-12(11)24-15/h2-4,6-7H,1,5,8-10H2,(H,20,21,22)/b15-13-
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM51002
PNG
((5E)-3-benzyl-5-(3-ethyl-1,3-benzothiazol-2-yliden...)
Show SMILES CCN1\C(Sc2ccccc12)=C1/SC(=S)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H16N2OS3/c1-2-20-14-10-6-7-11-15(14)24-18(20)16-17(22)21(19(23)25-16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/b18-16+
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40458
PNG
(3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O4S4/c1-2-8-18-14(19)13(25-16(18)23)15-17(9-5-10-26(20,21)22)11-6-3-4-7-12(11)24-15/h2-4,6-7H,1,5,8-10H2,(H,20,21,22)/b15-13-
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Article
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n/an/a 1.09E+4n/an/an/an/an/an/a



Florida Atlantic University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 expressed in Escherichia coli


Bioorg Med Chem 17: 990-1005 (2009)


Article DOI: 10.1016/j.bmc.2008.03.004
BindingDB Entry DOI: 10.7270/Q2GB24ZC
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40464
PNG
(3-[(2Z)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
Show InChI InChI=1S/C15H16N2O4S4/c1-2-16-13(18)12(24-15(16)22)14-17(8-5-9-25(19,20)21)10-6-3-4-7-11(10)23-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,20,21)/b14-12-
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2JW8C95
More data for this
Ligand-Target Pair