BDBM38580 3-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one::3-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one::MLS000054028::SMR000063845::cid_2125695

SMILES O=c1n(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nnc2ccccc12

InChI Key InChIKey=JAJRLWYJKXCGAY-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 38580   

TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38580(3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol...)
Affinity DataIC50: 1.00E+7nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38580(3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol...)
Affinity DataIC50: 1.00E+7nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38580(3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol...)
Affinity DataIC50: 1.00E+7nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM38580(3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol...)
Affinity DataIC50: 1.00E+5nMAssay 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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay