Found 116 hits Enz. Inhib. hit(s) with all data for entry = 50012039 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin B-cyclin-dependent kinase 1 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin A-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of cyclin dependent kinase 1-cyclinB |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin A-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin B-cyclin-dependent kinase 1 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin A-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin D1-cyclin-dependent kinase 4 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of cAMP-dependent protein kinase |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM5718
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)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) | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin B-cyclin-dependent kinase 1 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM5718
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)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) | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 1 (MAPK-ERK2) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM5718
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)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) | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin A-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM5718
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)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) | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of cAMP-dependent protein kinase |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin D1-cyclin-dependent kinase 4 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 1 (MAPK-ERK2) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM5718
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)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) | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113725
(2-Chloro-5-[2-(1-hydroxymethyl-2-methyl-propylamin...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(c2)C(O)=O)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-14(21)13(7-12)19(29)30/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113703
(2-[6-(4-Bromo-phenylamino)-9-isopropyl-9H-purin-2-...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25BrN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-13(20)6-8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113679
(9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2...)Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12 Show InChI InChI=1S/C13H20N6/c1-8(2)5-6-15-11-10-12(18-13(14)17-11)19(7-16-10)9(3)4/h5,7,9H,6H2,1-4H3,(H3,14,15,17,18) | PDB
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| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50113679
(9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2...)Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12 Show InChI InChI=1S/C13H20N6/c1-8(2)5-6-15-11-10-12(18-13(14)17-11)19(7-16-10)9(3)4/h5,7,9H,6H2,1-4H3,(H3,14,15,17,18) | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin A-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50113679
(9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2...)Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12 Show InChI InChI=1S/C13H20N6/c1-8(2)5-6-15-11-10-12(18-13(14)17-11)19(7-16-10)9(3)4/h5,7,9H,6H2,1-4H3,(H3,14,15,17,18) | PDB
MMDB
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Reactome pathway
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 1 (MAPK-ERK2) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50113679
(9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2...)Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12 Show InChI InChI=1S/C13H20N6/c1-8(2)5-6-15-11-10-12(18-13(14)17-11)19(7-16-10)9(3)4/h5,7,9H,6H2,1-4H3,(H3,14,15,17,18) | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of cAMP-dependent protein kinase |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113684
(2-[6-(4-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-13(20)6-8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50113679
(9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2...)Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12 Show InChI InChI=1S/C13H20N6/c1-8(2)5-6-15-11-10-12(18-13(14)17-11)19(7-16-10)9(3)4/h5,7,9H,6H2,1-4H3,(H3,14,15,17,18) | PDB
MMDB
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| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin D1-cyclin-dependent kinase 4 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113722
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C22H32N6O2/c1-14(2)10-17(12-29)25-22-26-20(19-21(27-22)28(13-24-19)15(3)4)23-11-16-6-8-18(30-5)9-7-16/h6-9,13-15,17,29H,10-12H2,1-5H3,(H2,23,25,26,27)/t17-/m1/s1 | PDB
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| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113692
(2-Hydroxy-5-[2-(1-hydroxymethyl-2-methyl-propylami...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)c(c2)C(O)=O)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H26N6O4/c1-10(2)14(8-27)23-20-24-17(16-18(25-20)26(9-21-16)11(3)4)22-12-5-6-15(28)13(7-12)19(29)30/h5-7,9-11,14,27-28H,8H2,1-4H3,(H,29,30)(H2,22,23,24,25)/t14-/m0/s1 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113700
(2-[1-(9-Isopropyl-6-phenylamino-9H-purin-2-yl)-pip...)Show InChI InChI=1S/C21H28N6O/c1-15(2)27-14-22-18-19(23-16-8-4-3-5-9-16)24-21(25-20(18)27)26-12-7-6-10-17(26)11-13-28/h3-5,8-9,14-15,17,28H,6-7,10-13H2,1-2H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113724
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-5-15(11-27)23-20-24-18(17-19(25-20)26(12-22-17)13(2)3)21-10-14-6-8-16(28-4)9-7-14/h6-9,12-13,15,27H,5,10-11H2,1-4H3,(H2,21,23,24,25)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113738
(2-[1-(6-Benzylamino-9-isopropyl-9H-purin-2-yl)-pip...)Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C22H30N6O/c1-16(2)28-15-24-19-20(23-14-17-8-4-3-5-9-17)25-22(26-21(19)28)27-12-7-6-10-18(27)11-13-29/h3-5,8-9,15-16,18,29H,6-7,10-14H2,1-2H3,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113754
(2-[6-(3-Iodo-benzylamino)-9-isopropyl-9H-purin-2-y...)Show SMILES CC(C)[C@H](CO)Nc1nc(NCc2cccc(I)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H27IN6O/c1-12(2)16(10-28)24-20-25-18(22-9-14-6-5-7-15(21)8-14)17-19(26-20)27(11-23-17)13(3)4/h5-8,11-13,16,28H,9-10H2,1-4H3,(H2,22,24,25,26)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50113679
(9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2...)Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12 Show InChI InChI=1S/C13H20N6/c1-8(2)5-6-15-11-10-12(18-13(14)17-11)19(7-16-10)9(3)4/h5,7,9H,6H2,1-4H3,(H3,14,15,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin D1-cyclin-dependent kinase 4 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113750
(2-{1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-pur...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCC2CCO)cc1 Show InChI InChI=1S/C23H32N6O2/c1-16(2)29-15-25-20-21(24-14-17-7-9-19(31-3)10-8-17)26-23(27-22(20)29)28-12-5-4-6-18(28)11-13-30/h7-10,15-16,18,30H,4-6,11-14H2,1-3H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113707
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22) | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113729
(2-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...)Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C18H23ClN6O2/c1-12(2)25-11-20-15-16(21-14-5-3-4-13(19)10-14)22-18(23-17(15)25)24(6-8-26)7-9-27/h3-5,10-12,26-27H,6-9H2,1-2H3,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113737
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C21H30N6O2/c1-13(2)17(11-28)24-21-25-19(18-20(26-21)27(12-23-18)14(3)4)22-10-15-6-8-16(29-5)9-7-15/h6-9,12-14,17,28H,10-11H2,1-5H3,(H2,22,24,25,26)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113682
(3-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...)Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO Show InChI InChI=1S/C19H25ClN6O2/c1-13(2)26-12-21-16-17(22-15-6-3-5-14(20)11-15)23-19(24-18(16)26)25(8-10-28)7-4-9-27/h3,5-6,11-13,27-28H,4,7-10H2,1-2H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113726
(2-{1-[6-(4-Amino-benzylamino)-9-isopropyl-9H-purin...)Show SMILES CC(C)n1cnc2c(NCc3ccc(N)cc3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C22H31N7O/c1-15(2)29-14-25-19-20(24-13-16-6-8-17(23)9-7-16)26-22(27-21(19)29)28-11-4-3-5-18(28)10-12-30/h6-9,14-15,18,30H,3-5,10-13,23H2,1-2H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113747
(2-(9-Isopropyl-6-phenylamino-9H-purin-2-ylamino)-3...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H26N6O/c1-12(2)15(10-26)22-19-23-17(21-14-8-6-5-7-9-14)16-18(24-19)25(11-20-16)13(3)4/h5-9,11-13,15,26H,10H2,1-4H3,(H2,21,22,23,24)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113751
(3-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCCO)cc1 Show InChI InChI=1S/C21H30N6O3/c1-15(2)27-14-23-18-19(22-13-16-5-7-17(30-3)8-6-16)24-21(25-20(18)27)26(10-12-29)9-4-11-28/h5-8,14-15,28-29H,4,9-13H2,1-3H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113743
(2-[6-(3-Bromo-phenylamino)-9-isopropyl-9H-purin-2-...)Show InChI InChI=1S/C16H19BrN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1) |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this
Ligand-Target Pair | |
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