BDBM51813 3-(4-Methoxy-3-nitro-benzylsulfanyl)-5-methyl-4H-[1,2,4]triazole::3-[(4-methoxy-3-nitro-benzyl)thio]-5-methyl-1H-1,2,4-triazole::3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole::3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole::3-[(4-methoxy-3-nitrophenyl)methylthio]-5-methyl-1H-1,2,4-triazole::MLS000561636::SMR000175579::cid_799682

SMILES COc1ccc(CSc2nnc(C)[nH]2)cc1[N+]([O-])=O

InChI Key InChIKey=MQXOMGMYFIGJAP-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  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 3 hits for monomerid = 51813   

LigandPNGBDBM51813(3-(4-Methoxy-3-nitro-benzylsulfanyl)-5-methyl-4H-[...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51813(3-(4-Methoxy-3-nitro-benzylsulfanyl)-5-methyl-4H-[...)
Affinity DataIC50:  5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM51813(3-(4-Methoxy-3-nitro-benzylsulfanyl)-5-methyl-4H-[...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay