Found 41 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 13/Cyclin-K' 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 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50367676
(CHEMBL4160662)Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)| Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29- | PDB
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel... |
J Med Chem 61: 7710-7728 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00683
BindingDB Entry DOI: 10.7270/Q2HX1G6F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50597426
(CHEMBL5169449)Show SMILES NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCC3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(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
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50597424
(CHEMBL5187378)Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3cnccn3)nc(SCCN)nc12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50597425
(CHEMBL5194202)Show SMILES NCCSc1nc(NCc2ccc(cc2)-n2cccn2)c2[nH]nc(C3CCC3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50539904
(CHEMBL4647764)Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r| Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1 | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of human CDK13/cyclin K using Pol2-CTD as substrate by [gamma-33P]ATP-based radioisotope filter binding assay |
J Med Chem 63: 6708-6726 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01929
BindingDB Entry DOI: 10.7270/Q25M698Z |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573506
(CHEMBL4861833)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel... |
J Med Chem 61: 7710-7728 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00683
BindingDB Entry DOI: 10.7270/Q2HX1G6F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50597419
(CHEMBL5182767)Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50528813
(CHEMBL4163879)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of CDK13/human cyclin K expressed in baculovirus-infected insect cells using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation c... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00766
BindingDB Entry DOI: 10.7270/Q2GX4G9M |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50540080
(CHEMBL4648857)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01719
BindingDB Entry DOI: 10.7270/Q2HQ43WX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50528813
(CHEMBL4163879)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1 | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Competitive irreversible inhibition of CDK13/cyclinK (unknown origin) in presence of Km ATP |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573513
(CHEMBL4866757)Show SMILES C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50597407
(CHEMBL5191136)Show SMILES CC(O)CSc1nc(NCc2ccc(cc2)-n2cccn2)c2n[nH]c(C(C)C)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573511
(CHEMBL4864697)Show SMILES C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573515
(CHEMBL4853887)Show SMILES C\C=C\C(=O)Nc1ccc(N2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573510
(CHEMBL4866812)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573930
(CHEMBL4856177)Show SMILES CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1 | PDB
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TBA
| Assay Description
Inhibition of human CDK13/cyclin-K incubated for 2 hrs by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00271
BindingDB Entry DOI: 10.7270/Q2ZG6X2G |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573520
(CHEMBL4862284)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(O[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573512
(CHEMBL4748005)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573516
(CHEMBL4853964)Show SMILES C\C=C\C(=O)Nc1cc(F)c(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573514
(CHEMBL4860981)Show SMILES C\C=C\C(=O)Nc1ccc(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573518
(CHEMBL4754873)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573519
(CHEMBL4862643)Show SMILES C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50597428
(CHEMBL5194833)Show SMILES NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCCC3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573521
(CHEMBL4753819)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573503
(CHEMBL4862603)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Br)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50110178
(CHEMBL3603847 | US10787436, Compound I-23)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+ | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Competitive irreversible inhibition of CDK13/cyclinK (unknown origin) in presence of 1 mM ATP |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50528813
(CHEMBL4163879)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573509
(CHEMBL4758566)Show SMILES Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)nc1-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50605448
(CHEMBL5179617)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2nccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c2Cl)ncc1F |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00063
BindingDB Entry DOI: 10.7270/Q2NG4VR2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573508
(CHEMBL4787545)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573507
(CHEMBL4870659)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573517
(CHEMBL4872216)Show SMILES COc1cc(NC(=O)\C=C\C)c(C)cc1N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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| n/a | n/a | 4.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50583189
(CHEMBL5079648)Show SMILES CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK13/cyclin-K (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02019
BindingDB Entry DOI: 10.7270/Q2D222HB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573505
(CHEMBL4854583)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r| | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50367849
(CHEMBL4175774)Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wD:16.21,13.14,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)| Show InChI InChI=1S/C30H31N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h2-9,12-13,16,19-21,26,28H,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28+ | PDB
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel... |
J Med Chem 61: 7710-7728 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00683
BindingDB Entry DOI: 10.7270/Q2HX1G6F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human CDK13/cyclinK using RSRSRSRSRSRSR as substrate incubated for 120 mins in presence of [gamma-33ATP] by rad... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50573504
(CHEMBL4848336)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
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TBA
| Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50594507
(CHEMBL5203891)Show SMILES O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)N1CCNCC1 |r,wU:11.11,wD:14.18,(.41,3.92,;-.66,3.3,;-1.99,4.08,;-1.99,5.62,;-3.32,6.39,;-3.32,7.93,;-4.65,8.7,;-5.99,7.93,;-5.99,6.39,;-4.65,5.62,;-.66,1.76,;-2,1,;-2,-.54,;-3.33,-1.31,;-4.67,-.53,;-4.67,1,;-3.33,1.77,;-6,-1.3,;-6,-2.84,;-4.68,-3.62,;-4.68,-5.16,;-6,-5.92,;-7.34,-5.16,;-7.34,-3.61,;-6,-7.46,;-6,-8.7,;.67,.99,;.67,-.55,;2.01,-1.31,;3.34,-.55,;3.34,.99,;2.01,1.77,;4.67,-1.32,;4.67,-2.85,;6.01,-3.63,;7.34,-2.85,;7.34,-1.32,;6,-.55,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00384
BindingDB Entry DOI: 10.7270/Q2T157NQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human)) | BDBM50367676
(CHEMBL4160662)Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)| Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29- | PDB
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| n/a | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00384
BindingDB Entry DOI: 10.7270/Q2T157NQ |
More data for this
Ligand-Target Pair | |
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