BDBM45346 3-(methoxymethyl)-2-benzofurancarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester::3-(methoxymethyl)coumarilic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester::MLS000056170::SMR000068416::[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate::[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate::cid_2553426

SMILES COCc1c(oc2ccccc12)C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1

InChI Key InChIKey=CEIVFGMMZTXJNB-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 = 45346   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45346BDBM45346(MLS000056170 | SMR000068416 | [4-azanyl-6-[(2-meth...)
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