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36 similar compounds to monomer 68244

Compile data set for download or QSAR
Wt: 419.5
BDBM53779
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Wt: 415.4
BDBM54100
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Wt: 385.4
BDBM60758
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Wt: 464.3
BDBM68236
Wt: 387.4
BDBM68239
Wt: 448.3
BDBM68240
Wt: 414.4
BDBM68241
Wt: 383.4
BDBM68242
Wt: 399.4
BDBM68243
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Wt: 448.3
BDBM68222
Wt: 403.9
BDBM68227
Wt: 495.3
BDBM68228
Wt: 448.3
BDBM68234
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Wt: 383.4
BDBM80882
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Wt: 399.4
BDBM90340
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Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 53779,54100,60758,68236,68239,68240,68241,68242,68243,68222,68227,68228,68234,80882,90340   
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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM53779
PNG
(2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-
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n/an/a 1.85E+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: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM60758
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17-16(10-4-8-14-9-5-11-24-14)26-19(25)20(17)15(18(22)23)12-13-6-2-1-3-7-13/h1-11,15H,12H2,(H,22,23)/b8-4+,16-10-
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n/an/a 2.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM54100
PNG
(2-[(5Z)-4-keto-2-thioxo-5-vanillylidene-thiazolidi...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)ccc1O
Show InChI InChI=1S/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/b17-11-
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n/an/a 4.23E+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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM53779
PNG
(2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-
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n/an/an/an/a 1.65E+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 (2010)


Article DOI: 10.1016/j.bioorg.2013.09.002
BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM53779
PNG
(2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-
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n/an/a 2.84E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM53779
PNG
(2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-
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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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68222
PNG
(Thiazolidinone core, 6)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/a 1.60E+3 9.40E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68222
PNG
(Thiazolidinone core, 6)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/a 6.50E+4 1.20E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68227
PNG
(Thiazolidinone core, 21)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C19H14ClNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/an/a 2.13E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68227
PNG
(Thiazolidinone core, 21)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C19H14ClNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/a 4.90E+4 1.60E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68228
PNG
(Thiazolidinone core, 22)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(I)c2)C1=O
Show InChI InChI=1S/C19H14INO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/a 4.10E+4 6.00E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68228
PNG
(Thiazolidinone core, 22)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(I)c2)C1=O
Show InChI InChI=1S/C19H14INO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/an/a 6.30E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68234
PNG
(Thiazolidinone core, 15)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68236
PNG
(Thiazolidinone core, 17)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO4S2/c20-13-3-1-2-12(8-13)10-16-17(23)21(19(26)27-16)15(18(24)25)9-11-4-6-14(22)7-5-11/h1-8,10,15,22H,9H2,(H,24,25)/b16-10+
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n/an/an/a>1.12E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68239
PNG
(Thiazolidinone core, 23)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(F)c2)C1=O
Show InChI InChI=1S/C19H14FNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68240
PNG
(Thiazolidinone core, 25)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2ccccc2Br)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-9-5-4-8-13(14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68241
PNG
(Thiazolidinone core, 26)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(c2)N(=O)=O)C1=O
Show InChI InChI=1S/C19H14N2O5S2/c22-17-16(11-13-7-4-8-14(9-13)21(25)26)28-19(27)20(17)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68242
PNG
(Thiazolidinone core, 27)
Show SMILES Cc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H17NO3S2/c1-13-6-5-9-15(10-13)12-17-18(22)21(20(25)26-17)16(19(23)24)11-14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Klebsiella pneumoniae)
BDBM68243
PNG
(Thiazolidinone core, 28)
Show SMILES COc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H17NO4S2/c1-25-15-9-5-8-14(10-15)12-17-18(22)21(20(26)27-17)16(19(23)24)11-13-6-3-2-4-7-13/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68234
PNG
(Thiazolidinone core, 15)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68236
PNG
(Thiazolidinone core, 17)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
Show InChI InChI=1S/C19H14BrNO4S2/c20-13-3-1-2-12(8-13)10-16-17(23)21(19(26)27-16)15(18(24)25)9-11-4-6-14(22)7-5-11/h1-8,10,15,22H,9H2,(H,24,25)/b16-10+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68239
PNG
(Thiazolidinone core, 23)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(F)c2)C1=O
Show InChI InChI=1S/C19H14FNO3S2/c20-14-8-4-7-13(9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68240
PNG
(Thiazolidinone core, 25)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2ccccc2Br)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-9-5-4-8-13(14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68241
PNG
(Thiazolidinone core, 26)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(c2)N(=O)=O)C1=O
Show InChI InChI=1S/C19H14N2O5S2/c22-17-16(11-13-7-4-8-14(9-13)21(25)26)28-19(27)20(17)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15H,10H2,(H,23,24)/b16-11+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68242
PNG
(Thiazolidinone core, 27)
Show SMILES Cc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H17NO3S2/c1-13-6-5-9-15(10-13)12-17-18(22)21(20(25)26-17)16(19(23)24)11-14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM68243
PNG
(Thiazolidinone core, 28)
Show SMILES COc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H17NO4S2/c1-25-15-9-5-8-14(10-15)12-17-18(22)21(20(26)27-17)16(19(23)24)11-13-6-3-2-4-7-13/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12+
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n/an/an/a>3.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed. Inhibition constants were determined by mon...


Chem Biol 13: 825-37 (2006)


Article DOI: 10.1016/j.chembiol.2006.06.007
BindingDB Entry DOI: 10.7270/Q2DV1HB1
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM60758
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17-16(10-4-8-14-9-5-11-24-14)26-19(25)20(17)15(18(22)23)12-13-6-2-1-3-7-13/h1-11,15H,12H2,(H,22,23)/b8-4+,16-10-
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n/an/a>7.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2GQ6W7C
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM80882
PNG
(2-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-th...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H17NO3S2/c1-13-7-9-15(10-8-13)12-17-18(22)21(20(25)26-17)16(19(23)24)11-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12-
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n/an/a 9.14E+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/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM80882
PNG
(2-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-th...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H17NO3S2/c1-13-7-9-15(10-8-13)12-17-18(22)21(20(25)26-17)16(19(23)24)11-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12-
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n/an/a 1.06E+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 (2011)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90340
PNG
(2-[(5Z)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H17NO4S2/c1-25-15-9-7-14(8-10-15)12-17-18(22)21(20(26)27-17)16(19(23)24)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12-
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n/an/an/an/a 3.48E+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)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM60758
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17-16(10-4-8-14-9-5-11-24-14)26-19(25)20(17)15(18(22)23)12-13-6-2-1-3-7-13/h1-11,15H,12H2,(H,22,23)/b8-4+,16-10-
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n/an/a 7.53E+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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM60758
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17-16(10-4-8-14-9-5-11-24-14)26-19(25)20(17)15(18(22)23)12-13-6-2-1-3-7-13/h1-11,15H,12H2,(H,22,23)/b8-4+,16-10-
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n/an/a 7.33E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90340
PNG
(2-[(5Z)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H17NO4S2/c1-25-15-9-7-14(8-10-15)12-17-18(22)21(20(26)27-17)16(19(23)24)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12-
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM90340
PNG
(2-[(5Z)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H17NO4S2/c1-25-15-9-7-14(8-10-15)12-17-18(22)21(20(26)27-17)16(19(23)24)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,23,24)/b17-12-
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n/an/a 3.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM60758
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C19H15NO4S2/c21-17-16(10-4-8-14-9-5-11-24-14)26-19(25)20(17)15(18(22)23)12-13-6-2-1-3-7-13/h1-11,15H,12H2,(H,22,23)/b8-4+,16-10-
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n/an/a 3.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53779
PNG
(2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-
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n/an/a 1.49E+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