BDBM45567 MLS000388936::N-(2-chloranylpyridin-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide::N-(2-chloro-3-pyridinyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide::N-(2-chloro-3-pyridyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide::N-(2-chloropyridin-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide::SMR000255110::cid_2618297

SMILES CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1

InChI Key InChIKey=GBPLLRCHQOCRHT-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 45567   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45567BDBM45567(cid_2618297 | MLS000388936 | N-(2-chloranylpyridin...)
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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45567BDBM45567(cid_2618297 | MLS000388936 | N-(2-chloranylpyridin...)
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:
6/8/2011
Entry Details
PCBioAssay