BDBM7584 1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::1-{6-[(3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::C-2 alkynylated purine deriv. 5e::CHEMBL282193

SMILES CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=PTXLIQGTDWMAAF-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 1 hit for monomerid = 7584   

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

Curated by ChEMBL
LigandPNGBDBM7584(1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...)
Affinity DataIC50:  60nMAssay Description:Inhibition of Cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed