BDBM45623 (4,6-dipropargyloxy-s-triazin-2-yl)-(3-nitrophenyl)amine::MLS000711239::N-(3-nitrophenyl)-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine::SMR000281006::cid_3112035

SMILES [O-][N+](=O)c1cccc(Nc2nc(OCC#C)nc(OCC#C)n2)c1

InChI Key InChIKey=ORRBRQWJGYYRRF-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45623   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45623(MLS000711239 | SMR000281006 | N-(3-nitrophenyl)-4,...)
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