BDBM55940 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-homoveratryl-acetamide::MLS000032316::N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide::N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide::N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide::N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide::SMR000003319::cid_644746

SMILES COc1ccc(CCNC(=O)CSc2nnc(o2)-c2ccc(F)cc2)cc1OC

InChI Key InChIKey=IKLCNERZZXAZPN-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 = 55940   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM55940(SMR000003319 | MLS000032316 | N-[2-(3,4-dimethoxyp...)
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