BDBM40370 2-[[4-methyl-5-[[(1-oxo-2-phenylethyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000087551::SMR000023773::cid_866654::ethyl 2-[[4-methyl-5-[(2-phenylethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate::ethyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate::ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate

SMILES CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C

InChI Key InChIKey=AEYMMMCPMGPYRP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40370   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40370(cid_866654 | ethyl [(4-methyl-5-{[(phenylacetyl)am...)
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