BDBM7478 2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzoic acid::2-chloro-4-[(2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl)amino]benzoic acid::CHEMBL23254::Purvalanol B

SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=ZKDXRFMOHZVXSG-HNNXBMFYSA-N

Data  30 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 7478   

TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
Universidad San Pablo Ceu

LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMT: 30°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
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 eta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCdc2(Starfish)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  250nMAssay 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 ArticlePubMed
TargetCyclin-dependent kinase 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMAssay 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 ArticlePubMed
TargetProtein kinase C beta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCbeta2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  9nMAssay Description:Inhibition of Cyclin E-cyclin-dependent kinase 2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Cyclin D1-cyclin-dependent kinase 4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of cAMP-dependent protein kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMAssay Description:Inhibition of cyclin dependent kinase 1-cyclinBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMAssay Description:Inhibition of Cyclin A-cyclin-dependent kinase 2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  2.00E+4nMAssay Description:Binding affinity to cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCdc2(Starfish)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  50nMAssay 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 ArticlePubMed
TargetCyclin-dependent kinase 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human cdk2/cyclin AMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human cdk4/cyclin D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human cdk5/p35More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 3(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  3.33E+3nMAssay Description:Inhibition of human Erk1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C beta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCbeta1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C gamma type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C delta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCdeltaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C epsilon type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCepsilonMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C zeta type(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human PKCzetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human GSK3-betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInsulin receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of human insulin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Baker's yeast)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of Saccharomyces cerevisiae cdc28More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMAssay Description:Inhibition of recombinant CDK2/CycA (unknown origin)More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 5 activator 1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  6nMAssay Description:Inhibition of recombinant CDK5/p35 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM7478(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Affinity DataIC50:  9nMAssay Description:Inhibition of human cdk2/cyclin EMore data for this Ligand-Target Pair