BDBM56332 1-Piperidin-1-yl-2-[5-propyl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone::1-piperidino-2-[[5-propyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]ethanone::2-[[4-(2-oxolanylmethyl)-5-propyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone::2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone::2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone::MLS000529543::SMR000122018::cid_3212502

SMILES CCCc1nnc(SCC(=O)N2CCCCC2)n1CC1CCCO1

InChI Key InChIKey=NZKFPFLHMAHBJT-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 = 56332   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56332(SMR000122018 | MLS000529543 | cid_3212502 | 2-[[4-...)
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