BDBM40325 5-Oxo-tetrahydro-thiophene-3-carboxylic acid (tert-butylcarbamoyl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide::MLS000074485::N-[2-(tert-butylamino)-2-keto-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-tetrahydrothiophene-3-carboxamide::N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-thiolane-3-carboxamide::N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-thiolanecarboxamide::N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxothiolane-3-carboxamide::SMR000007769::cid_644483

SMILES CC(C)(C)NC(=O)CN(C(=O)C1CSC(=O)C1)c1ccc2OCCOc2c1

InChI Key InChIKey=CITSSDVQFJTVNH-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 40325   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40325(5-Oxo-tetrahydro-thiophene-3-carboxylic acid (tert...)
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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay