Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50007709 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-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50235342
(CHEMBL319467 | NU-6102)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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Patents
| PDB Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human CDK2/Cyclin A expressed in baculovirus infected Sf9 insect cells |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50229973
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50229973
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK1 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50235341
(CHEMBL269881 | NU-2058)Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM8037
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...)Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| 396 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50229973
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| MMDB PDB Article PubMed
| 396 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50235342
(CHEMBL319467 | NU-6102)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK4/Cyclin D1 (unknown origin) expressed in baculovirus infected insect cells using pRb (792 to 928 residues) as substrate |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50511934
(CHEMBL4590821)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1N=O Show InChI InChI=1S/C19H26N6O5S/c20-17-16(25-27)18(30-12-13-4-2-1-3-5-13)24-19(23-17)22-14-6-8-15(9-7-14)31(28,29)21-10-11-26/h6-9,13,21,26H,1-5,10-12H2,(H3,20,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human CDK2/Cyclin A expressed in baculovirus infected Sf9 insect cells |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50511924
(CHEMBL2377864)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1cccnc1 Show InChI InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-2-1-7-18-8-9)24-15(20-14)19-10-3-5-11(6-4-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubat... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubat... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50433369
(CHEMBL2377825)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50511932
(CHEMBL4589128)Show SMILES CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK1/Cyclin B (unknown origin) using histone H1 as substrate in presence of gamma[32P] ATP by phosphorimaging analysis |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-K
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His-tagged CDK9/cyclin K expressed in baculovirus expression system |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubat... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM10109
((3Z)-4-[(3R,4S,5R)-4-amino-3,5-dihydroxyhex-1-yn-1...)Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c12 |r| Show InChI InChI=1S/C20H20FN3O4/c1-10(25)19(22)16(26)6-3-11-13(21)4-5-14-18(11)12(20(27)24-14)9-15-17(28-2)7-8-23-15/h4-5,7-10,16,19,23,25-26H,22H2,1-2H3,(H,24,27)/b12-9-/t10-,16-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50511932
(CHEMBL4589128)Show SMILES CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A (unknown origin) using histone H1 as substrate in presence of gamma[32P] ATP by phosphorimaging analysis |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50511930
(CHEMBL4584344)Show SMILES COCCNS(=O)(=O)c1ccc(Nc2ncc(cn2)-c2cnc3cccnn23)cc1 Show InChI InChI=1S/C19H19N7O3S/c1-29-10-9-24-30(27,28)16-6-4-15(5-7-16)25-19-21-11-14(12-22-19)17-13-20-18-3-2-8-23-26(17)18/h2-8,11-13,24H,9-10H2,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK2/cyclin E expressed in baculovirus infected Sf21 insect cells using GST-tagged Rb protein (792 to 928 residues) a... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubat... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50433369
(CHEMBL2377825)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK4/Cyclin D1 (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate ... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM31545
(Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...)Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK5/p35 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length GST/His-tagged CDK5/p25 expressed in baculovirus expression system by Z'-Lyte assay |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length C-terminal His6-tagged CDK9/human full-length untagged cyclin T1 expressed in baculovirus infected Sf21 i... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged CDK2/cyclin E1 |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM31545
(Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...)Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin E (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50511931
(CHEMBL4579344)Show SMILES C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H29N7O/c1-11(2)27-10-23-17-18(22-9-16-8-21-13(4)7-12(16)3)25-20(26-19(17)27)24-14(5)15(6)28/h7-8,10-11,14-15,28H,9H2,1-6H3,(H2,22,24,25,26)/t14-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM5670
(2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...)Show InChI InChI=1S/C16H16N4O2S2/c1-2-12-8-18-14(22-12)10-23-15-9-19-16(24-15)20-13(21)6-11-4-3-5-17-7-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20,21) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50503350
(CHEMBL310840)Show SMILES CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F Show InChI InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK1/cyclin B1 (unknown origin) expressed in baculovirus expression system using histone H1 as substrate measured after 45 m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/Cyclin B1 (M1 to V433 residues) expressed in baculovirus infect... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50433369
(CHEMBL2377825)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK1/cyclin B1 (unknown origin) expressed in baculovirus expression system using histone H1 as substrate measured after 45 m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length C-terminal His6-tagged CDK3/full-length human N-terminal GST-tagged Cyclin E expressed in baculovirus inf... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM31545
(Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...)Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM31545
(Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...)Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK1/Cyclin B (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50503350
(CHEMBL310840)Show SMILES CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F Show InChI InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length C-terminal His6-tagged CDK3/full-length human N-terminal GST-tagged Cyclin E expressed in baculovirus inf... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length His-tagged CDK1/cyclin B1 expressed in baculovirus expression system |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal His6-tagged CDK5/recombinant human full-length N-terminal GST-tagged p35 using histone H1 as s... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50511929
(CHEMBL4452422)Show SMILES O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc(OC[C@H]2CCCN2)n1 |r| Show InChI InChI=1S/C19H20N6O2S/c26-19(25-16-12-28-18(23-16)13-6-9-20-10-7-13)24-15-4-1-5-17(22-15)27-11-14-3-2-8-21-14/h1,4-7,9-10,12,14,21H,2-3,8,11H2,(H2,22,24,25,26)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK5/p25 (unknown origin) using histone-h1 as substrate measured after 10 mins in presence of [gamma33P]AT |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
CDK2/Cyclin-E2
(Homo sapiens (Human)) | BDBM50511929
(CHEMBL4452422)Show SMILES O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc(OC[C@H]2CCCN2)n1 |r| Show InChI InChI=1S/C19H20N6O2S/c26-19(25-16-12-28-18(23-16)13-6-9-20-10-7-13)24-15-4-1-5-17(22-15)27-11-14-3-2-8-21-14/h1,4-7,9-10,12,14,21H,2-3,8,11H2,(H2,22,24,25,26)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK2/Cyclin E2 (unknown origin) expressed in baculovirus expression system using biotinylated-histone H1 as substrate measu... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50113281
(AT-7519)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length C-terminal His6-tagged CDK9/human full-length untagged cyclin T1 expressed in baculovirus infected Sf21 i... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal thrombin cleavage site-fused/GST-tagged CDK2 (M1 to L298 residues)/Cyclin E1 (M1 to A395 residues) express... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50511929
(CHEMBL4452422)Show SMILES O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc(OC[C@H]2CCCN2)n1 |r| Show InChI InChI=1S/C19H20N6O2S/c26-19(25-16-12-28-18(23-16)13-6-9-20-10-7-13)24-15-4-1-5-17(22-15)27-11-14-3-2-8-21-14/h1,4-7,9-10,12,14,21H,2-3,8,11H2,(H2,22,24,25,26)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B1 (unknown origin) using histone-h1 as substrate measured after 10 mins in presence of [gamma33P]ATP |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4/Cyclin D1 expressed in baculovirus infected Spodoptera frugiperda insect cells using pRb a... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50511931
(CHEMBL4579344)Show SMILES C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H29N7O/c1-11(2)27-10-23-17-18(22-9-16-8-21-13(4)7-12(16)3)25-20(26-19(17)27)24-14(5)15(6)28/h7-8,10-11,14-15,28H,9H2,1-6H3,(H2,22,24,25,26)/t14-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50503350
(CHEMBL310840)Show SMILES CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F Show InChI InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged CDK4/Cyclin D1 (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate ... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged full length CDK7/untagged recombinant full length human Cyclin H/N-terminal GST-tagged recombi... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50511931
(CHEMBL4579344)Show SMILES C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H29N7O/c1-11(2)27-10-23-17-18(22-9-16-8-21-13(4)7-12(16)3)25-20(26-19(17)27)24-14(5)15(6)28/h7-8,10-11,14-15,28H,9H2,1-6H3,(H2,22,24,25,26)/t14-,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK9 (unknown origin) |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM6683
(aminoimidazo[1,2-a]pyridine deriv. 18 | {2-amino-6...)Show SMILES Nc1nc2ccc(cn2c1C(=S)c1c(F)cccc1F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C21H11F4N3OS/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK2/Cyclin E (unknown origin) expressed in baculovirus infected Sf9 insect cells using pRb (246 to 257 residues) as substr... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this Ligand-Target Pair | |