BDBM52001 2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]acetic acid::2-[[2-(3,5-dimethylpyrazol-1-yl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]sulfanyl]acetic acid::2-[[2-(3,5-dimethylpyrazol-1-yl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]sulfanyl]ethanoic acid::2-[[2-(3,5-dimethylpyrazol-1-yl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]acetic acid::MLS000778762::SMR000415538::[2-(3,5-Dimethyl-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylsu lfanyl]-acetic acid::cid_3820260

SMILES Cc1cc(C)n(n1)-c1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1

InChI Key InChIKey=YPNBSFYQLAPPIO-UHFFFAOYSA-N

Data  4 IC50  1 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 5 hits for monomerid = 52001   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52001(2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-...)
Affinity DataIC50:  2.48E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...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
LigandPNGBDBM52001(2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM52001(2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-...)
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
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52001(2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...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
LigandPNGBDBM52001(2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-...)
Affinity DataIC50:  9.07E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay