BDBM45359 2-[[2-[3-(3-chlorophenyl)-7-keto-triazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]acetic acid ethyl ester::2-[[2-[3-(3-chlorophenyl)-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-1-oxoethyl]amino]acetic acid ethyl ester::MLS000092826::SMR000028471::cid_3235926::ethyl 2-[2-[3-(3-chlorophenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanoylamino]ethanoate::ethyl 2-[[2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]acetate::ethyl N-{[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}glycinate

SMILES CCOC(=O)CNC(=O)Cn1cnc2n(nnc2c1=O)-c1cccc(Cl)c1

InChI Key InChIKey=FBOCQEUIXUUCPV-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 = 45359   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45359(cid_3235926 | MLS000092826 | 2-[[2-[3-(3-chlorophe...)
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