BDBM7576 1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)-3-methylpent-1-yn-3-ol::1-{6-[(4-chlorobenzyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::2-purine deriv. 3a::C-2 alkynylated purine deriv. 4e::CHEMBL24484

SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=IGQSMAAWNDBZSW-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 7576   

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

LigandPNGBDBM7576(1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...)
Affinity DataIC50:  60nMpH: 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
LigandPNGBDBM7576(1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...)
Affinity DataIC50:  230nMAssay 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
LigandPNGBDBM7576(1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...)
Affinity DataIC50:  60nMAssay 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

LigandPNGBDBM7576(1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...)
Affinity DataIC50:  60nMpH: 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. 32P...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed