BDBM50358213 CHEMBL1922219::US8846696, (2R3S)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol

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

InChI Key InChIKey=SCACHXWSWJBIHG-HIFRSBDPSA-N

Data  12 IC50

PDB links: 1 PDB ID matches this monomer.

  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 12 hits for monomerid = 50358213   

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

US Patent
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  30nMpH: 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
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  2.20E+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 4(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  6.80E+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 7(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  1.30E+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
TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
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
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of CDK1/cyclin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  110nMAssay Description:Inhibition of CDK9/cyclin T1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Cyclacel

US Patent
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of CDK7 in human HT29 cells assessed as reduction in RNA polymerase 2 expressionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  107nMAssay Description:Inhibition of CDK9 in human HT29 cells assessed as reduction in RNA polymerase 2 expressionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of CDK7/cyclin HMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of ERK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Affinity DataIC50:  2.00E+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