BDBM55958 5-Acetyl-4-methyl-2-[2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetylamino]-thiophene-3-carboxylic acid ethyl ester::5-acetyl-4-methyl-2-[[1-oxo-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester::5-acetyl-4-methyl-2-[[2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester::MLS000030608::SMR000001573::cid_646751::ethyl 5-acetyl-4-methyl-2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate::ethyl 5-ethanoyl-4-methyl-2-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

SMILES CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(o1)-c1cccnc1)C(C)=O

InChI Key InChIKey=FXGGPVNDDMHFBV-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 = 55958   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM55958(SMR000001573 | MLS000030608 | 5-acetyl-4-methyl-2-...)
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