BDBM42385 1-({[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetyl)-4-phenylpiperazine::2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone::2-[[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone::2-[[5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone::2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone::MLS000050220::SMR000077364::cid_2958440

SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1

InChI Key InChIKey=XHJCGKGBOXIPKJ-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  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 2 hits for monomerid = 42385   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM42385(2-[[5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-tria...)
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
TargetLysosomal acid glucosylceramidase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42385(2-[[5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-tria...)
Affinity DataEC50: >5.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay