BDBM7558 1-{2-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]ethynyl}cyclopentan-1-ol::C-2 alkynylated purine deriv. 2f::CHEMBL336776

SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCC1

InChI Key InChIKey=ZHSGNFYFDBVFAE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 7558   

TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Institut Curie

Curated by ChEMBL
LigandPNGBDBM7558(1-{2-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-y...)
Affinity DataIC50:  500nMAssay Description:Inhibition of Cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
Institut Curie

LigandPNGBDBM7558(1-{2-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-y...)
Affinity DataIC50:  500nMpH: 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