BDBM72895 6-N-butyl-4-N-(3-chloro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine::MLS001199826::N6-butyl-N4-(3-chloranyl-4-methyl-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine::N6-butyl-N4-(3-chloro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine::N~6~-butyl-N~4~-(3-chloro-4-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine::SMR000563895::butyl-[4-(3-chloro-4-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine::cid_7216284

SMILES COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cc2nc3n(c12)Cc1cnn(c1)CCCCCCn1c-3cc2cccnc21

InChI Key InChIKey=QJTFNBPCUDLPCZ-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 72895   

TargetProtein-arginine deiminase type-4(Human)
Bristol-Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 72895BDBM72895(((3R,5R)-3-amino-5- fluoropiperidin-1-yl)((Z)-27- ...)
Affinity DataIC50: 277nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details
US Patent