BDBM33517 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]thio]-N,N-dimethyl-acetamide;hydrochloride::2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride::2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]thio]-N,N-dimethylacetamide;hydrochloride::2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-ethanamide;hydrochloride::MLS000042386::SMR000043830::cid_6602827

SMILES CN(C)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1

InChI Key InChIKey=HEKKIESHBHLKTQ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 33517   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33517(2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33517(2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol...)
Affinity DataIC50: 172nMAssay 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:
5/11/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33517(2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol...)
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:
5/27/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33517(2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol...)
Affinity DataIC50: 205nMAssay 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:
5/28/2011
Entry Details
PCBioAssay