BDBM7577 1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::1-{6-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::C-2 alkynylated purine deriv. 4f::CHEMBL286491

SMILES CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=FJMIBKCZMSUKCW-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 7577   

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

LigandPNGBDBM7577(1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...)
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
LigandPNGBDBM7577(1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...)
Affinity DataIC50:  300nMAssay 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
LigandPNGBDBM7577(1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...)
Affinity DataIC50:  200nMAssay Description:Inhibition of Cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed