Found 13 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4' and Ligand = 'BDBM6309' 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)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CDK4 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00012d BindingDB Entry DOI: 10.7270/Q27H1P69 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
Eur J Med Chem 172: 143-153 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.064 BindingDB Entry DOI: 10.7270/Q27M0C84 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of CDK4 |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of CDK4 in human MOLM13 cells assessed as inhibition of Rb phosphorylation at Ser780 after 24 hrs |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113218 BindingDB Entry DOI: 10.7270/Q2PN99PG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00302 BindingDB Entry DOI: 10.7270/Q20Z779V |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
Eur J Med Chem 142: 424-458 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.071 BindingDB Entry DOI: 10.7270/Q2S1856W |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01467 BindingDB Entry DOI: 10.7270/Q24Q801K |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany AS CR
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
Eur J Med Chem 110: 291-301 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma32P]ATP |
Eur J Med Chem 122: 546-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.020 BindingDB Entry DOI: 10.7270/Q27P91CF |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank US Patent
| n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Xunhe Pharmaceutical Technology Co. Ltd.
US Patent
| Assay Description CDK4: The test compound was dissolved in DMSO and diluted with a kinase buffer solution (20 mM HEPES-pH 7.5, 0.01% Triton X-100, 10 mM MgCl2, 2 mM DT... |
US Patent US10464927 (2019)
BindingDB Entry DOI: 10.7270/Q23B62GC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |