Found 164 hits Enz. Inhib. hit(s) with all data for entry = 50047845 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-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81441
(CDK Inhibitor, 14)Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
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
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (4 to 303 residues)/cyclin D1 (4 to 295 residues) expressed in sf9 cells using C-terminal ... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM81441
(CDK Inhibitor, 14)Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK7 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP based microbet... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP base... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
KEGG
UniProtKB/SwissProt
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D1 (4 to 295 residues) expressed in sf9 cells using... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193090
(CHEMBL3895785)Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human CDK9 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length N-terminal His6-tagged CDK5/N-terminal GST-tagged p25 expressed in baculovirus infected Sf21 insect cells... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human full length C-terminal His6-tagged CDK2/N-terminal GST-tagged cyclin A expressed in baculovirus infected Sf21 insect cells using ... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4/cyclin D1 expressed in baculovirus infected sf cells |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
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
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| Article PubMed
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length C-terminal His6-tagged CDK9/cyclin T1 expressed in baculovirus infected Sf21 insect cells using PDKtide a... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM81441
(CDK Inhibitor, 14)Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB Article PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(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
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| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human full length C-terminal His6-tagged CDK1/N-terminal GST-tagged cyclin B expressed in baculovirus infected Sf21 insect cells using ... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
UniProtKB/SwissProt
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| 504 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human CDK2/cyclin E |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(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
UniProtKB/SwissProt
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| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length C-terminal His6-tagged CDK2/N-terminal GST-tagged cyclin E expressed in baculovirus infected Sf21 insect ... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50193090
(CHEMBL3895785)Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK1 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50193090
(CHEMBL3895785)Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50193090
(CHEMBL3895785)Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to full length human CDK2 (1 to 298 residues) expressed in bacterial expression system by KINOMEscan competition assay |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 3
(Homo sapiens (Human)) | BDBM50193090
(CHEMBL3895785)Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK3 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50193090
(CHEMBL3895785)Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK5 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(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
UniProtKB/SwissProt
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| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length C-terminal His6-tagged CDK7/cyclin H/N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 in... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
UniProtKB/SwissProt
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| 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length C-terminal His6-tagged CDK7/cyclin H/N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 in... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(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
UniProtKB/SwissProt
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| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His6-tagged CDK2/cyclin E expressed in baculovirus infected sf9 cells using histone H1 susbtrate in presence of [gamm... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25036
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50193087
(CHEMBL3897452)Show SMILES CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12 Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-13-10-27-11-16(12(13)2)15-5-4-6-18-20(15)22(31-30-18)23-28-19-8-14(24)7-17(25)21(19)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
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Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-A2/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
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| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK2/cyclin A (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrat... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK5/p25 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate aft... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
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 Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50193087
(CHEMBL3897452)Show SMILES CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12 Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-13-10-27-11-16(12(13)2)15-5-4-6-18-20(15)22(31-30-18)23-28-19-8-14(24)7-17(25)21(19)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK4/cyclin E (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193103
(CHEMBL3957795)Show SMILES CS(=O)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1 Show InChI InChI=1S/C23H19F2N5O3S/c1-34(31,32)13-16-3-2-4-18(9-16)29-23-28-14-27-22(30-23)19-6-5-17(24)11-20(19)33-12-15-7-8-26-21(25)10-15/h2-11,14H,12-13H2,1H3,(H,27,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193096
(CHEMBL3977324)Show SMILES Fc1ccc(nc1NCC1CCOCC1)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl |r| Show InChI InChI=1S/C22H27ClFN5O2/c23-17-13-26-20(29-22(30)15-2-1-7-25-12-15)10-16(17)19-4-3-18(24)21(28-19)27-11-14-5-8-31-9-6-14/h3-4,10,13-15,25H,1-2,5-9,11-12H2,(H,27,28)(H,26,29,30)/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using cdk7tide peptide as substrate |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50193087
(CHEMBL3897452)Show SMILES CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12 Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-13-10-27-11-16(12(13)2)15-5-4-6-18-20(15)22(31-30-18)23-28-19-8-14(24)7-17(25)21(19)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
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
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM25036
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+ | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK9 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB MMDB
Reactome pathway KEGG
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Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM170515
(US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...)Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(F)c2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK3/cyclin E (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D3 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | 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
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK7/cyclin H (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant CDK4/cyclin D1 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193092
(CHEMBL3948080)Show SMILES CC(C)Oc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl |r| Show InChI InChI=1S/C20H23ClFN3O2/c1-12(2)27-18-6-5-14(22)8-16(18)15-9-19(24-11-17(15)21)25-20(26)13-4-3-7-23-10-13/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,24,25,26)/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using cdk7tide peptide as substrate |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin E (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM179848
(US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...)Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1 Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CDK5/p35 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193101
(CHEMBL3896233)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20FNO5/c1-23-7-6-13(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-2-4-12(22)5-3-11/h2-5,8-9,13,17,24-25,27H,6-7,10H2,1H3/t13-,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human His6-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using GST-CTD as substrate after 10 mins in presence of [g... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human His6-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using GST-CTD as substrate after 10 mins in presence of [g... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193109
(CHEMBL3924246)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1F |r| Show InChI InChI=1S/C21H20FNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human His6-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using GST-CTD as substrate after 10 mins in presence of [g... |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this Ligand-Target Pair | |