BDBM78536 4-(3-butyl-7-cyclopentyl-2,6-diketo-purin-8-yl)benzonitrile::4-(3-butyl-7-cyclopentyl-2,6-dioxo-8-purinyl)benzonitrile::4-(3-butyl-7-cyclopentyl-2,6-dioxopurin-8-yl)benzonitrile::4-[3-butyl-7-cyclopentyl-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile::MLS000097426::SMR000067621::cid_2998815

SMILES CCCCn1c2nc(-c3ccc(cc3)C#N)n(C3CCCC3)c2c(=O)[nH]c1=O

InChI Key InChIKey=UXDXQXWYDLKKNC-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 = 78536   

TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78536(4-(3-butyl-7-cyclopentyl-2,6-diketo-purin-8-yl)ben...)
Affinity DataIC50:  1.87E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78536(4-(3-butyl-7-cyclopentyl-2,6-diketo-purin-8-yl)ben...)
Affinity DataIC50:  1.99E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78536(4-(3-butyl-7-cyclopentyl-2,6-diketo-purin-8-yl)ben...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay