Found 11 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 6' and Ligand = 'BDBM50110183' 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 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
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| PDB Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutial, Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CDK6 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kin... |
Bioorg Med Chem Lett 27: 5332-5336 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.050 BindingDB Entry DOI: 10.7270/Q2H134K1 |
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
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| PDB US Patent
| n/a | n/a | 3.41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2SJ1PTP |
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
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| PDB US Patent
| n/a | n/a | 3.41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2SJ1PTP |
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
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| 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-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
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| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of CDK6 (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 | 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
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| PDB Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length CDK6 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 mins by ADP-G... |
Bioorg Med Chem Lett 28: 974-978 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236 |
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
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist potency at cloned recombinant human adenosine A2A receptor transfected in CHO cells by cAMP assay |
Citation and Details
|
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
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MCE PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab
Curated by ChEMBL
| Assay Description Inhibition of CDK6 (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 | 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
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MCE PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112904 BindingDB Entry DOI: 10.7270/Q2XP791Q |
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
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MCE PC cid PC sid PDB UniChem
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| PDB US Patent
| n/a | n/a | 11.7 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.
US Patent
| Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100... |
US Patent US10988476 (2021)
BindingDB Entry DOI: 10.7270/Q2PR8047 |
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
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MCE PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | 11.7 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.
US Patent
| Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100... |
US Patent US10662186 (2020)
BindingDB Entry DOI: 10.7270/Q2GX4FKS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |