BDBM45491 1-ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one::1-ethyl-6-hydroxy-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-one::1-ethyl-6-hydroxy-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinone::1-ethyl-6-oxidanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-one::3-Ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-yl-ethylsulfanyl)-3H-pyrimidin-4-one::MLS000555888::SMR000147405::cid_921619

SMILES CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O

InChI Key InChIKey=HVBJWJMYRKDHIF-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45491   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45491BDBM45491(SMR000147405 | 1-ethyl-6-oxidanyl-2-(2-oxidanylide...)
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