BDBM27216 (2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol::2,6,9-Trisubstitute purine, 1::CHEMBL23327::Purvalanol A

SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=PMXCMJLOPOFPBT-UHFFFAOYSA-N

Data  2 KI  50 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 52 hits for monomerid = 27216   

TargetGlycogen synthase kinase-3 beta(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human GSK3-betaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 70nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 240nMAssay Description:Inhibition of SRCMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCdc2(Starfish)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 40nMAssay Description:Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 70nMAssay Description:Inhibition of human cdk2/cyclin AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 4(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 850nMAssay Description:Inhibition of human cdk4/cyclin D1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 5(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 75nMAssay Description:Inhibition of human cdk5/p35More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase 3(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human Erk1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C beta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PKCbeta1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C gamma type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PKCgammaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C delta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human PKCdeltaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C epsilon type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human PKCepsilonMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C zeta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human PKCzetaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSerine/threonine-protein kinase PAK 4(Human)
University of Dundee

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 130nMAssay Description:Inhibition of PAK4 in the presence of 5uM ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInsulin receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human insulin receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 1(Baker's yeast)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 80nMAssay Description:Inhibition of Saccharomyces cerevisiae cdc28More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 610nMAssay Description:Inhibition of recombinant human full length His-tagged CDK1/Cyclin B expressed in baculovirus expression system using peptide substrate after 30 mins...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 300nMAssay Description:Inhibition of DYRK1A (unknown origin) by cell-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 70nMAssay Description:Inhibition of recombinant CDK2/CycA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 850nMAssay Description:Inhibition of recombinant CDK4/CycD1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 75nMAssay Description:Inhibition of recombinant CDK5/p35 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCyclin-dependent kinase 4(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 4nMAssay Description:Inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCyclin-dependent kinase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 4nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 70nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 850nMAssay Description:Inhibition of CDK4/cyclin D1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 50nMAssay Description:Inhibition of human CDK2/cyclinA using histone H1 as substrate incubated for 30 mins in presence of gamma[32P]ATP by phosphoimaging analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetProtein kinase C beta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PKCbeta2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 70nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 5 activator 1 [99-307](Human)
Universite De Lyon

LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 75nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 240nMpH: 7.4 T: 2°CAssay Description:Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 70nMpH: 7.4 T: 2°CAssay Description:Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 50nMAssay Description:Inhibitory concentration against Cyclin dependent kinase 1.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 35nMAssay Description:Inhibition of human cdk2/cyclin EMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C eta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human PKCetaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein kinase C alpha type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PKCalphaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCdc2(Starfish)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 500nMAssay Description:Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 4nMAssay Description:Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 4nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 35nMAssay Description:Inhibition of Cyclin E-cyclin-dependent kinase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 850nMAssay Description:Inhibition of Cyclin D1-cyclin-dependent kinase 4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 3.50E+4nMAssay Description:Binding affinity to cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of cAMP-dependent protein kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 70nMAssay Description:Inhibition of Cyclin A-cyclin-dependent kinase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Cyclin B-cyclin-dependent kinase 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 3.50E+4nMAssay Description:Binding affinity to cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase 3(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Cyclin-dependent kinase 2 (CDK2)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMO15-related protein kinase Pfmrk(malaria parasite P. falciparum)
Institute of Research

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, PfmrkMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant Cyclin-dependent kinase 1-cyclin BMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM27216((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Affinity DataIC50: 30nMAssay Description:Inhibition of CDK2-cyclinA in the presence of 20uM ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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