BDBM51681 4-(3,7-diisobutyl-2,6-diketo-purin-8-yl)benzonitrile::4-[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile::4-[3,7-bis(2-methylpropyl)-2,6-dioxo-8-purinyl]benzonitrile::4-[3,7-bis(2-methylpropyl)-2,6-dioxopurin-8-yl]benzonitrile::MLS000567120::SMR000153805::cid_5252834

SMILES CC(C)Cn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccc(cc1)C#N

InChI Key InChIKey=UBFYPLVHRWEGLL-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 51681   

TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51681(4-[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)p...)
Affinity DataIC50: 3.31E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay