BDBM33676 2-amino-6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile::2-amino-6-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile::2-amino-6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-p-cumenyl-dinicotinonitrile::2-azanyl-6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile::MLS000536671::SMR000155593::cid_2318166

SMILES CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCCC2)c1C#N

InChI Key InChIKey=JAKMBNUDCZLPEN-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 = 33676   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33676(cid_2318166 | 2-azanyl-6-[2-(azepan-1-yl)-2-oxidan...)
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
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Date in BDB:
11/9/2009
Entry Details
PCBioAssay