BDBM77608 2-(2-amino-6-methylsulfanylpurin-9-yl)-N-(3,4-dimethylphenyl)acetamide::2-(2-azanyl-6-methylsulfanyl-purin-9-yl)-N-(3,4-dimethylphenyl)ethanamide::2-[2-amino-6-(methylthio)-9-purinyl]-N-(3,4-dimethylphenyl)acetamide::2-[2-amino-6-(methylthio)purin-9-yl]-N-(3,4-dimethylphenyl)acetamide::MLS002477166::SMR001399089::cid_44246600

SMILES CC(C)Oc1ccc(-c2ccc3c(c2)C2C[C@H]3CCN2CCCO)cc1

InChI Key InChIKey=WJJWRNAAIKIHHE-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 = 77608   

TargetSigma intracellular receptor 2(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 77608BDBM77608(US20250387403, Example Table1.21)
Affinity DataKi:  65.9nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent