BDBM74502 1-[4-({3-nitro-1H-pyrazol-1-yl}methyl)benzoyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol::MLS000698594::SMR000228110::[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone::[5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone::[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(3-nitro-1-pyrazolyl)methyl]phenyl]methanone::[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone::cid_4140879

SMILES CC1=NN(C(=O)c2ccc(Cn3ccc(n3)[N+]([O-])=O)cc2)C(O)(C1)C(F)(F)F

InChI Key InChIKey=WVOQCXCZFRRWRS-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 74502   

TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74502(1-[4-({3-nitro-1H-pyrazol-1-yl}methyl)benzoyl]-3-m...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74502(1-[4-({3-nitro-1H-pyrazol-1-yl}methyl)benzoyl]-3-m...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74502(1-[4-({3-nitro-1H-pyrazol-1-yl}methyl)benzoyl]-3-m...)
Affinity DataIC50: >7.94E+4nMAssay 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