BDBM45392 (3-amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone::4-(2,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000064102::SMR000075949::cid_925484

SMILES Cc1ccc(C)c(c1)C(=O)n1cnnc1N

InChI Key InChIKey=YZMUEWQJIGOEBX-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 = 45392   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45392BDBM45392((3-azanyl-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)...)
Affinity DataIC50: 1.10E+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