BDBM45393 4-[[4-(isopropylamino)-6-(methylthio)-s-triazin-2-yl]oxy]benzoic acid methyl ester::4-[[4-(methylthio)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester::MLS000096831::SMR000074530::cid_753419::methyl 4-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate::methyl 4-{[4-(isopropylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy}benzoate

SMILES COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1

InChI Key InChIKey=FDXQXSCHIZXDIE-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 = 45393   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45393BDBM45393(MLS000096831 | cid_753419 | methyl 4-{[4-(isopropy...)
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