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BDBM31755 3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine::3-benzylsulfanyl-5,6-bis(furan-2-yl)-1,2,4-triazine::5,6-bis(2-furanyl)-3-(phenylmethylthio)-1,2,4-triazine::5,6-bis(furan-2-yl)-3-(phenylmethylsulfanyl)-1,2,4-triazine::MLS-0029114.0001::cid_2940938

SMILES: C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1

InChI Key: InChIKey=QKTJLQPSNJEMRD-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 31755   
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
MKP-3


(Rattus norvegicus)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 2.42E+4n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.09E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 9.21E+6n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.55E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.57E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.11E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...


Citation and Details
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a>5.00E+7n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...


Citation and Details
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a>5.00E+7n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...


Citation and Details
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 5.55E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


Citation and Details
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 3.17E+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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 7.06E+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...


Citation and Details
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 2.74E+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 (2008)

More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.00E+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 (2009)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 284n/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...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 2.92E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


Citation and Details
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 2.39E+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, CA...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair