BDBM56313 4-[5-(4-Methyl-benzylsulfanyl)-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-yl]-pyridine::4-[5-[(4-methylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]pyridine::4-[5-[(4-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::4-[5-[(4-methylphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]pyridine::MLS000067808::SMR000122400::cid_3168398

SMILES Cc1ccc(CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1

InChI Key InChIKey=VRZXJGJTTAAZRH-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 56313   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56313(4-[5-(4-Methyl-benzylsulfanyl)-4-(tetrahydro-furan...)
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