BDBM45452 (3-Chloro-phenyl)-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-acetonitrile::2-(3-chlorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile::2-(3-chlorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanenitrile::MLS000527951::SMR000120525::cid_3231375

SMILES Cc1cc(C(C#N)c2cccc(Cl)c2)n2ncnc2n1

InChI Key InChIKey=BHVNSHKJUIVDRQ-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 = 45452   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45452BDBM45452(SMR000120525 | cid_3231375 | (3-Chloro-phenyl)-(5-...)
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