BDBM71822 8-(2-hydroxyethylamino)-1,3,7-trimethyl-purine-2,6-dione::8-(2-hydroxyethylamino)-1,3,7-trimethyl-xanthine::8-(2-hydroxyethylamino)-1,3,7-trimethylpurine-2,6-dione::8-[(2-hydroxyethyl)amino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione::MLS000061540::SMR000070719::cid_22780

SMILES Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)N[C@@H]5CCOC5)cc4n3)n2)c1

InChI Key InChIKey=AWJFREKYPJBFBG-UHFFFAOYSA-N

Data  1 EC50

  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 = 71822   

Target1-phosphatidylinositol 3-phosphate 5-kinase(Human)
Verge Analytics

US Patent
LigandChemical structure of BindingDB Monomer ID 71822BDBM71822(7-morpholino-5-[3-(m-tolyl)pyrazol-1- yl]-N-[(3R)-...)
Affinity DataIC50: 64.7nMAssay 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:
4/13/2026
Entry Details
US Patent