BDBM33001 MLS001012174::N-(2-Oxo-tetrahydro-thiophen-3-yl)-2,2-diphenyl-acetamide::N-(2-ketotetrahydrothiophen-3-yl)-2,2-diphenyl-acetamide::N-(2-oxidanylidenethiolan-3-yl)-2,2-diphenyl-ethanamide::N-(2-oxo-3-thiolanyl)-2,2-diphenylacetamide::N-(2-oxothiolan-3-yl)-2,2-diphenylacetamide::SMR000425361::cid_3136355

SMILES O=C(NC1CCSC1=O)C(c1ccccc1)c1ccccc1

InChI Key InChIKey=OHQVBBHTUGGVNK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 33001   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33001(SMR000425361 | MLS001012174 | N-(2-oxo-3-thiolanyl...)
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
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33001(SMR000425361 | MLS001012174 | N-(2-oxo-3-thiolanyl...)
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
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33001(SMR000425361 | MLS001012174 | N-(2-oxo-3-thiolanyl...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay