BDBM40361 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-4-triazolecarboxylic acid ethyl ester::1-(4-aminofurazan-3-yl)-5-[(3-bromo-4-methyl-anilino)methyl]triazole-4-carboxylic acid ethyl ester::MLS000043856::SMR000021067::cid_1044872::ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]triazole-4-carboxylate::ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3-bromo-4-methylphenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate::ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(3-bromanyl-4-methyl-phenyl)amino]methyl]-1,2,3-triazole-4-carboxylate

SMILES CCOC(=O)c1nnn(c1CNc1ccc(C)c(Br)c1)-c1nonc1N

InChI Key InChIKey=UJHIADNNLJNJLM-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 = 40361   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40361BDBM40361(SMR000021067 | cid_1044872 | ethyl 1-(4-amino-1,2,...)
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