BDBM58440 2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,4-triazol-3-yl]thio]-5-nitrothiazole::2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-1,3-thiazole::2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-5-nitro-thiazole::2-[[5-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-1,3-thiazole::MLS001182319::SMR000568079::cid_2744279

SMILES CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C

InChI Key InChIKey=LAJNPBGTUNSKGJ-UHFFFAOYSA-N

Data  6 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 58440   

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
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TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataEC50: >5.00E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApelin receptor(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataIC50:  1.43E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataIC50:  5.36E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataIC50:  802nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataIC50:  7.34E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataIC50:  4.60E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataIC50: >4.98E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM58440(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Affinity DataEC50:  2.90E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay