BDBM50358223 CHEMBL1922122::US8846696, (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol

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

InChI Key InChIKey=XHPNYYOUZWOWNT-PYUWXLGESA-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 = 50358223   

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

US Patent
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  1.00E+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 1(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  2.30E+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
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  2.40E+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
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  1.60E+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
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  2.30E+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
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  5.10E+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
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  1.60E+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
LigandPNGBDBM50358223(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Affinity DataIC50:  5.10E+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
LigandPNGBDBM50358223(CHEMBL1922122 | 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