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7 similar compounds to monomer 31764

Compile data set for download or QSAR
Wt: 329.4
BDBM32785
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Wt: 239.3
BDBM39901
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Wt: 295.4
BDBM42071
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Wt: 281.3
BDBM74919
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Wt: 295.4
BDBM82799
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Wt: 564.7
BDBM108615
Wt: 504.6
BDBM108525

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 32785,39901,42071,74919,82799,108615,108525   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM32785
PNG
(MLS000064221 | N-(5-phenethyl-1,3,4-thiadiazol-2-y...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
Show InChI InChI=1S/C16H15N3OS2/c20-14(11-13-7-4-10-21-13)17-16-19-18-15(22-16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,19,20)
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PCBioAssay
n/an/a 2.54E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


Article DOI: 10.1073/pnas.250483897
BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM32785
PNG
(MLS000064221 | N-(5-phenethyl-1,3,4-thiadiazol-2-y...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
Show InChI InChI=1S/C16H15N3OS2/c20-14(11-13-7-4-10-21-13)17-16-19-18-15(22-16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,19,20)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM42071
PNG
(MLS-0111919.0001 | N-(5-pentan-3-yl-1,3,4-thiadiaz...)
Show SMILES CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-3-9(4-2)12-15-16-13(19-12)14-11(17)8-10-6-5-7-18-10/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,17)
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n/an/a 9.97E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM39901
PNG
(MLS000072486 | N-(5-Methyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES Cc1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C9H9N3OS2/c1-6-11-12-9(15-6)10-8(13)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,12,13)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM42071
PNG
(MLS-0111919.0001 | N-(5-pentan-3-yl-1,3,4-thiadiaz...)
Show SMILES CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-3-9(4-2)12-15-16-13(19-12)14-11(17)8-10-6-5-7-18-10/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,17)
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n/an/a>1.00E+5n/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/Q2474894
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32785
PNG
(MLS000064221 | N-(5-phenethyl-1,3,4-thiadiazol-2-y...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
Show InChI InChI=1S/C16H15N3OS2/c20-14(11-13-7-4-10-21-13)17-16-19-18-15(22-16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,19,20)
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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
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108615
PNG
(US8604016, 190 | US9938267, Cmpd ID 190)
Show SMILES OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(CO)c3cccs3)s2)s1)c1cccs1
Show InChI InChI=1S/C22H24N6O4S4/c29-11-13(15-5-3-9-33-15)19(31)23-21-27-25-17(35-21)7-1-2-8-18-26-28-22(36-18)24-20(32)14(12-30)16-6-4-10-34-16/h3-6,9-10,13-14,29-30H,1-2,7-8,11-12H2,(H,23,27,31)(H,24,28,32)
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US Patent
n/an/a 250n/an/an/an/an/an/a



Calithera Biosciences Inc

US Patent


Assay Description
No preinc (Column 4).


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM82799
PNG
(MLS000717217 | N-(5-neopentyl-1,3,4-thiadiazol-2-y...)
Show SMILES CC(C)(C)Cc1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-13(2,3)8-11-15-16-12(19-11)14-10(17)7-9-5-4-6-18-9/h4-6H,7-8H2,1-3H3,(H,14,16,17)
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n/an/a 4.36E+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)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM74919
PNG
(MLS000688865 | N-(5-isobutyl-1,3,4-thiadiazol-2-yl...)
Show SMILES CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C12H15N3OS2/c1-8(2)6-11-14-15-12(18-11)13-10(16)7-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,13,15,16)
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n/an/a 4.47E+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))
BDBM74919
PNG
(MLS000688865 | N-(5-isobutyl-1,3,4-thiadiazol-2-yl...)
Show SMILES CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C12H15N3OS2/c1-8(2)6-11-14-15-12(18-11)13-10(16)7-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,13,15,16)
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n/an/a 2.06E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108525
PNG
(US8604016, 87 | US9938267, Cmpd ID 87)
Show SMILES O=C(Cc1cccs1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccs3)s2)s1
Show InChI InChI=1S/C20H20N6O2S4/c27-15(11-13-5-3-9-29-13)21-19-25-23-17(31-19)7-1-2-8-18-24-26-20(32-18)22-16(28)12-14-6-4-10-30-14/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,25,27)(H,22,26,28)
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US Patent
n/an/a 180n/an/an/an/an/an/a



Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108615
PNG
(US8604016, 190 | US9938267, Cmpd ID 190)
Show SMILES OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(CO)c3cccs3)s2)s1)c1cccs1
Show InChI InChI=1S/C22H24N6O4S4/c29-11-13(15-5-3-9-33-15)19(31)23-21-27-25-17(35-21)7-1-2-8-18-26-28-22(36-18)24-20(32)14(12-30)16-6-4-10-34-16/h3-6,9-10,13-14,29-30H,1-2,7-8,11-12H2,(H,23,27,31)(H,24,28,32)
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n/an/a 250n/an/an/an/an/an/a



Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108525
PNG
(US8604016, 87 | US9938267, Cmpd ID 87)
Show SMILES O=C(Cc1cccs1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccs3)s2)s1
Show InChI InChI=1S/C20H20N6O2S4/c27-15(11-13-5-3-9-29-13)21-19-25-23-17(31-19)7-1-2-8-18-24-26-20(32-18)22-16(28)12-14-6-4-10-30-14/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,25,27)(H,22,26,28)
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US Patent
n/an/a 180n/an/an/an/an/an/a



Calithera Biosciences Inc

US Patent


Assay Description
No preinc (Column 4).


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM74919
PNG
(MLS000688865 | N-(5-isobutyl-1,3,4-thiadiazol-2-yl...)
Show SMILES CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C12H15N3OS2/c1-8(2)6-11-14-15-12(18-11)13-10(16)7-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,13,15,16)
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n/an/an/an/a 9.59E+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