Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50010555 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 4
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50113342
(CHEMBL518383)Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1 Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| DrugBank PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged human CDK2/Cyclin A |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 6
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK6 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| Purchase
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 |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK9/Cyclin T1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| Purchase
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 |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human CDK1/cyclin B expressed in SF-9 cells after 10 mins in presence of [gamma-33P]ATP by scintillation counter... |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human CDK2/cyclin E expressed in SF-9 cells after 10 mins in presence of [gamma-33P]ATP by scintillation counter... |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50113342
(CHEMBL518383)Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1 Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged human CDK1/cyclin B |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| Purchase
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 |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50540078
(CHEMBL4639890)Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK8 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50400802
(CHEMBL1235529)Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM27217
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK2/cyclin E after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM27217
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK2/cyclin A after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50400802
(CHEMBL1235529)Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM27217
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK9/cyclin T after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(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
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 13
(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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK13 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM27217
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK5/p25 after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 19
(Homo sapiens (Human)) | BDBM50540078
(CHEMBL4639890)Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK19 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50466842
(CHEMBL1615221)Show SMILES CC[C@@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK9 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | 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
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK6 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50400802
(CHEMBL1235529)Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM7377
(4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...)Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 12
(Homo sapiens) | 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
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK12 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7377
(4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...)Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/p25 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK5 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50540077
(CHEMBL4649135)Show SMILES CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/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 | 321 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) in presence of high ATP |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM7377
(4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...)Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of GSK3alpha/beta (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50540077
(CHEMBL4649135)Show SMILES CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/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 | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK9 (unknown origin) in presence of high ATP |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK9 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50330267
(4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...)Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 7
(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 GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK7 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50330267
(4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...)Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 7
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK7 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK9 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50540077
(CHEMBL4649135)Show SMILES CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK1 (unknown origin) in presence of high ATP |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50540077
(CHEMBL4649135)Show SMILES CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK7 (unknown origin) in presence of high ATP |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM148264
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM148264
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM60927
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM60927
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to CDK2 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to CDK1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50540079
(CHEMBL4632717)Show SMILES Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |r,wU:14.15,wD:17.19,(30.75,-4.85,;29.97,-6.19,;28.43,-6.19,;27.96,-7.65,;29.21,-8.55,;30.45,-7.65,;31.94,-8.05,;33.03,-6.96,;34.51,-6.56,;33.42,-5.47,;29.21,-10.1,;30.54,-10.86,;30.54,-12.4,;31.87,-13.17,;33.2,-12.4,;33.2,-10.86,;34.53,-10.1,;35.87,-10.86,;37.2,-10.1,;35.87,-12.4,;34.53,-13.17,;29.21,-13.17,;27.88,-12.41,;27.88,-10.86,;26.54,-10.1,)| Show InChI InChI=1S/C18H25FN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)/t12-,13- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to CDK9 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50540079
(CHEMBL4632717)Show SMILES Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |r,wU:14.15,wD:17.19,(30.75,-4.85,;29.97,-6.19,;28.43,-6.19,;27.96,-7.65,;29.21,-8.55,;30.45,-7.65,;31.94,-8.05,;33.03,-6.96,;34.51,-6.56,;33.42,-5.47,;29.21,-10.1,;30.54,-10.86,;30.54,-12.4,;31.87,-13.17,;33.2,-12.4,;33.2,-10.86,;34.53,-10.1,;35.87,-10.86,;37.2,-10.1,;35.87,-12.4,;34.53,-13.17,;29.21,-13.17,;27.88,-12.41,;27.88,-10.86,;26.54,-10.1,)| Show InChI InChI=1S/C18H25FN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)/t12-,13- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to CDK7 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50540076
(CHEMBL4649097)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCCCNC(=O)OC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C23H35N5O3/c1-16-9-11-17(12-10-16)28-19(15-18(27-28)22(2,3)4)26-20(29)24-13-8-14-25-21(30)31-23(5,6)7/h9-12,15H,8,13-14H2,1-7H3,(H,25,30)(H2,24,26,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to CDK8/cyclin C (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |