BDBM50113707 2,6,9-Trisubstitute purine, 2::2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine::2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol::CHEMBL311228

SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12

InChI Key InChIKey=XZEFMZCNXDQXOZ-UHFFFAOYSA-N

Data  14 IC50  1 Kd

  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 = 50113707   

TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM50113707(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Affinity DataIC50:  2.20E+5nMAssay Description:Binding affinity to cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed