BDBM40353 6-[[4-(2,5-dimethylphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione::6-[[4-(2,5-dimethylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione::6-[[5-(allylthio)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]uracil::6-{[5-(allylthio)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione::MLS000045536::SMR000027293::cid_3236094

SMILES C=CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C

InChI Key InChIKey=RTSRRSYBTPIYRS-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40353   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40353BDBM40353(MLS000045536 | 6-[[4-(2,5-dimethylphenyl)-5-prop-2...)
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:
5/6/2011
Entry Details
PCBioAssay