BDBM41349 2,2-dimethylpropanoic acid [5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester::2,2-dimethylpropionic acid [5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester::MLS000050775::SMR000078350::[5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2,2-dimethylpropanoate::[5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate::cid_2962711::{5-[3-(aminocarbonyl)-1H-1,2,4-triazol-1-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl pivalate (non-preferred name)

SMILES CC(C)(C)C(=O)OCC1OC(C(O)C1O)n1cnc(n1)C(N)=O

InChI Key InChIKey=VORXIVUCGWLOIX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 41349   

TargetCathepsin S(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41349([5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyo...)
Affinity DataIC50: 5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay