Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) for PDB: 1W0X
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7nMAssay Description:Inhibition of Cyclin-dependent kinase 2 (CDK2/cyclin A)More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palacky University

LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 1.20E+3nMpH: 7.4 T: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palacky University

LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CDK2/cyclin EMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2(Homo sapiens (Human))
Aventis Pharma Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of Cyclin E-cyclin-dependent kinase 2More data for this Ligand-Target Pair
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
National Organization for Drug Control & Research

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of human recombinant CDK2/cyclin A expressed in baculovirus-infected insect Sf21 cells after 10 minsMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
National Organization for Drug Control & Research

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by rad...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palacky University

LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description: The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...More data for this Ligand-Target Pair
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
National Organization for Drug Control & Research

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of Cyclin A-cyclin-dependent kinase 2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CDK2/Cyclin EMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2(Homo sapiens (Human))
Aventis Pharma Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin EMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CDK2/Cyclin BMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palacky University

LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 7.08E+3nMAssay Description:Inhibition of CDK2/Cyclin E (unknown origin)More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2(Homo sapiens (Human))
Aventis Pharma Deutschland GmbH

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CDK2/cyclin EMore data for this Ligand-Target Pair
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
National Organization for Drug Control & Research

Curated by ChEMBL
LigandPNGBDBM5718(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CDK2/cyclin AMore data for this Ligand-Target Pair