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SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1

InChI Key InChIKey=SQUNOCMDMIQIQK-OAHLLOKOSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 27217   

TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Universite de Lyon

LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 73nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ024JPubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Inhibition of recombinant human CDK9/cyclin T after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QDZPubMed
TargetCyclin-dependent kinase 5 activator 1 [99-307](Homo sapiens (Human))
Universite de Lyon

LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 70nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ024JPubMed
TargetCyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Universite de Lyon

LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 500nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ024JPubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 43nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ024JPubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(RAT)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli in presence of [gamma-33P]ATP after 30 mins by scintillation counting an...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41V3QPubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Universit£ degli Studi di Palermo

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Inhibition of human recombinant CDK5/p25 using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6NRFPubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Universit£ degli Studi di Palermo

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Inhibition of human recombinant CDK2/cyclin A using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Universite de Lyon

LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Inhibition of human recombinant CDK7/cyclin H using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6NRFPubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using pRb fragment (773 to 928 amino acids) and [gamma-33P]ATP incubated fro ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6NRFPubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Universit£ degli Studi di Palermo

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Inhibition of human recombinant CDK2/cyclinE using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Universit£ degli Studi di Palermo

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of recombinant human CDK2/cyclin A after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysisMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Universit£ degli Studi di Palermo

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Inhibition of recombinant human CDK2/cyclin E after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysisMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Universit£ degli Studi di Palermo

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Inhibition of recombinant human CDK5/p25 after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QDZPubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Universit£ degli Studi di Palermo

Curated by ChEMBL
LigandPNGBDBM27217((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)copy SMILEScopy InChI
Affinity DataIC50: 40nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair