BDBM45416 2-[[4-(4-chlorophenyl)-5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]thio]propionic acid methyl ester::2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester::MLS000117351::SMR000094301::cid_4459896::methyl 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate::methyl 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

SMILES COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1

InChI Key InChIKey=MRCNDDUCNRIRIX-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 = 45416   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45416BDBM45416(MLS000117351 | methyl 2-[[5-[[2,4-bis(oxidanyliden...)
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