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BDBM34716 (4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-hydroxy-1-cyclohexa-2,5-dienone::(4Z)-4-[3-(2-furyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-hydroxy-cyclohexa-2,5-dien-1-one::(4Z)-4-[3-(furan-2-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-hydroxycyclohexa-2,5-dien-1-one::(4Z)-4-[3-(furan-2-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one::4-(3-Furan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)-benzene-1,2-diol::MLS000551562::SMR000145487::cid_5929242

SMILES: Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1

InChI Key: InChIKey=DDUUUIHMOYDWLN-UHFFFAOYSA-N

Data: 7 IC50  3 EC50

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 = 34716   
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
MPI protein


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a 2.15E+4n/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 (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/an/an/a 1.29E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
M18 aspartyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a 1.85E+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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q24B2ZQ2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a 6.87E+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/Q2DF6PNW
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a 5.00E+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)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/an/an/a 9.99E+5n/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 (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a 6.16E+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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a>5.96E+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/Q20K2704
More data for this
Ligand-Target Pair