BDBM50358221 CHEMBL1922120::US8846696, (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol

SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=VFEDEOUBYBLDKN-AAFJCEBUSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50358221   

TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  220nMpH: 7.4Assay Description:The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  1.20E+4nMpH: 7.4Assay Description:The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  2.50E+4nMpH: 7.4Assay Description:The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  1.10E+3nMpH: 7.4Assay Description:The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of CDK1/cyclin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  3.70E+4nMpH: 7.4Assay Description:The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of CDK7/cyclin HMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of ERK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358221(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50: >2.00E+5nMpH: 7.4Assay Description:The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...More data for this Ligand-Target Pair
In DepthDetails US Patent