BDBM88731 3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester::3-nitro-5-[oxo-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid methyl ester::MLS000579956::SMR000199197::cid_2162931::methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate::methyl 3-nitro-5-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate

SMILES CCC(CC)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1

InChI Key InChIKey=VBGVKRUKRLRNQA-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 88731   

TargetTyrosine-protein phosphatase non-receptor type 5(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM88731(cid_2162931 | methyl 3-({[5-(1-ethylpropyl)-1,3,4-...)
Affinity DataIC50: 8.62E+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
TargetDual specificity protein phosphatase 3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM88731(cid_2162931 | methyl 3-({[5-(1-ethylpropyl)-1,3,4-...)
Affinity DataIC50: 567nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM88731(cid_2162931 | methyl 3-({[5-(1-ethylpropyl)-1,3,4-...)
Affinity DataIC50: 2.28E+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
TargetTyrosine-protein phosphatase non-receptor type 5(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM88731(cid_2162931 | methyl 3-({[5-(1-ethylpropyl)-1,3,4-...)
Affinity DataIC50: 2.18E+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
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM88731(cid_2162931 | methyl 3-({[5-(1-ethylpropyl)-1,3,4-...)
Affinity DataIC50: 7.56E+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