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-UHFFFAOYSA-N

Data  19 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50358213   

TargetCyclin-H/Cyclin-dependent kinase 7(Human)
The Institute of Cancer Research

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of CDK7/cyclin HMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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TargetCyclin-dependent kinase 7(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 520nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 5(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 70nMAssay Description:Inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 4(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 2(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 110nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 1(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of CDK1 (unknown origin)More data for this Ligand-Target Pair

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TargetCyclin-dependent kinase 9(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 90nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 6(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of CDK6 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
The Institute of Cancer Research

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of CDK1/cyclin BMore data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetMitogen-activated protein kinase 1(Human)
The Institute of Cancer Research

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of ERK2More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 2(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 9(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 7(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

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

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

Affinity DataIC50: 110nMAssay Description:Inhibition of CDK9/cyclin T1More data for this Ligand-Target Pair

Target InfoPDBKEGG
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TargetMitogen-activated protein kinase 1(Human)
The Institute of Cancer Research

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
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TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Cyclacel

US Patent

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 7(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
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TargetCyclin-dependent kinase 4(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
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TargetCyclin-dependent kinase 1(Human)
Nankai University

Curated by ChEMBL

LigandBDBM50358213(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
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