BDBM50358210 CHEMBL1922123::US8846696, (3R)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-pentan-2-ol

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

InChI Key InChIKey=SQUNXPPTEPGMQR-UHFFFAOYSA-N

Data  10 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50358210   

TargetCyclin-dependent kinase 2(Human)
Cyclacel

US Patent
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 200nMpH: 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 Depth
Date in BDB:
3/3/2015
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 1(Human)
Cyclacel

US Patent
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 6.20E+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 Depth
Date in BDB:
3/3/2015
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 4(Human)
Cyclacel

US Patent
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 7.50E+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 Depth
Date in BDB:
3/3/2015
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 7(Human)
Cyclacel

US Patent
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 3.10E+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 Depth
Date in BDB:
3/3/2015
Entry Details
Go to US Patent

LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-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 Depth
Date in BDB:
3/3/2015
Entry Details
Go to US Patent

TargetMitogen-activated protein kinase 1(Human)
Cyclacel

US Patent
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 9.10E+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 Depth
Date in BDB:
3/3/2015
Entry Details
Go to US Patent

TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 210nMAssay Description:Inhibition of CDK9/cyclin T1More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCyclin-H/Cyclin-dependent kinase 7(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of CDK7/cyclin HMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
Cyclacel

US Patent
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 9.10E+4nMAssay Description:Inhibition of ERK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50358210(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of CDK1/cyclin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed