BDBM67727 7-hexyl-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione::7-hexyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione::7-hexyl-3-methyl-8-(4-methylpiperidino)xanthine::MLS000040507::SMR000058084::cid_662534

SMILES CCCCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(C)CC1

InChI Key InChIKey=SHMJCNZTLCGLAZ-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 = 67727   

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM67727(SMR000058084 | cid_662534 | 7-hexyl-3-methyl-8-(4-...)
Affinity DataIC50: 5.77E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM67727(SMR000058084 | cid_662534 | 7-hexyl-3-methyl-8-(4-...)
Affinity DataIC50: 5.77E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM67727(SMR000058084 | cid_662534 | 7-hexyl-3-methyl-8-(4-...)
Affinity DataIC50: 9.52E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay