BDBM45600 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one::MLS000335644::SMR000253398::cid_2121353

SMILES Nc1nnc(SCn2nnc3ccccc3c2=O)[nH]1

InChI Key InChIKey=YQAKUPFQWPAJMA-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45600   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45600(SMR000253398 | MLS000335644 | 3-[(5-amino-1H-1,2,4...)
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 Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay