BDBM45653 (E)-3-(4-methoxyphenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-2-propenenitrile::(E)-3-(4-methoxyphenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile::(E)-3-(4-methoxyphenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile::3-(4-methoxyphenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile::MLS000696144::SMR000333495::cid_5707907

SMILES COc1ccc(C=C(C#N)c2nnc(Cn3cncn3)[nH]2)cc1

InChI Key InChIKey=YTVKCLLZBWSTTL-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 = 45653   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45653BDBM45653(cid_5707907 | MLS000696144 | (E)-3-(4-methoxypheny...)
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