BDBM7582 1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::1-{6-[(4-ethoxyphenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::C-2 alkynylated purine deriv. 5c::CHEMBL280623

SMILES CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1

InChI Key InChIKey=FVOYXCNJIASCPE-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 7582   

TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
Institut Curie

LigandPNGBDBM7582(1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...)
Affinity DataIC50:  200nMpH: 7.2 T: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5(Homo sapiens (Human))
Institut Curie

Curated by ChEMBL
LigandPNGBDBM7582(1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...)
Affinity DataIC50:  400nMAssay Description:Compound was tested for its inhibitory activity against cyclin-dependent kinase 5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Institut Curie

Curated by ChEMBL
LigandPNGBDBM7582(1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...)
Affinity DataIC50:  200nMAssay Description:Inhibition of Cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed