BDBM55986 MLS000071666::N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-[4-(2-methoxy-ethyl)-5-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide::N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[[4-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[[4-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[[4-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::SMR000002098::cid_651831

SMILES COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(OC)cc1

InChI Key InChIKey=NAGHJNVHHXCYSG-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 = 55986   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM55986(N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-(2-met...)
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