BDBM55142 3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester::3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester::MLS001004551::SMR000348099::[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate::[2-(ethoxycarbonylamino)-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate::cid_2083851

SMILES CCOC(=O)NC(=O)COC(=O)c1ccc(Sc2nnc[nH]2)c(c1)[N+]([O-])=O

InChI Key InChIKey=GBKXUTIJFNRQEC-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 55142   

TargetProcathepsin L(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55142(3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoic acid ...)
Affinity DataIC50: >5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum 3D7)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55142(3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoic acid ...)
Affinity DataIC50:  609nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay