Found 81 hits with Last Name = 'he' and Initial = 'zz' 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)) | BDBM50455061
(CHEMBL4211828 | US10696678, Example 65)Show SMILES CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-17(2)37-10-8-36(9-11-37)16-19-5-6-24(31-14-19)33-28-32-15-22(30)26(35-28)20-12-21(29)27-23(13-20)38-18(3)4-7-25(38)34-27/h5-6,12-15,17-18H,4,7-11,16H2,1-3H3,(H,31,32,33,35) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM448932
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(H,30,31,32,34) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455057
(CHEMBL4215702 | US10696678, Example 20)Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455050
(CHEMBL4208172 | US10696678, Example 18 | US1135117...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)17-18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-16H,4,7-12,17H2,1-3H3,(H,31,32,33,35) | 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 | 0.900 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455068
(CHEMBL4205645 | US10696678, Example 22)Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-6-24(31-17-19)33-27-30-10-8-22(32-27)20-15-21(29)26-23(16-20)37-25(34-26)7-9-28(37,2)3/h5-6,8,10,15-17H,4,7,9,11-14,18H2,1-3H3,(H,30,31,32,33) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455051
(CHEMBL4210028 | US10696678, Example 24)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-8-24(30-16-19)33-27-31-17-21(29)26(34-27)20-6-7-22-23(15-20)37-25(32-22)9-10-28(37,2)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,30,31,33,34) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using Rb prot... |
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)) | BDBM50455074
(CHEMBL4217694 | US10696678, Example 67)Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F Show InChI InChI=1S/C27H30F2N8/c1-3-19-5-7-24-33-26-20(28)12-18(13-22(26)37(19)24)25-21(29)15-31-27(34-25)32-23-6-4-17(14-30-23)16-36-10-8-35(2)9-11-36/h4,6,12-15,19H,3,5,7-11,16H2,1-2H3,(H,30,31,32,34) | 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 | 2.40 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM448932
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(H,30,31,32,34) | 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 | 3.70 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455057
(CHEMBL4215702 | US10696678, Example 20)Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34) | 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 | 4 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455048
(CHEMBL4210707 | US10696678, Example 36)Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F Show InChI InChI=1S/C28H31F3N8/c1-28(2)6-5-24-35-26-20(30)13-19(14-22(26)39(24)28)25-21(31)16-33-27(36-25)34-23-4-3-18(15-32-23)17-38-11-9-37(8-7-29)10-12-38/h3-4,13-16H,5-12,17H2,1-2H3,(H,32,33,34,36) | 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 | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455049
(CHEMBL4209318 | US10696678, Example 63)Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F Show InChI InChI=1S/C26H28F2N8/c1-16-3-6-23-32-25-19(27)11-18(12-21(25)36(16)23)24-20(28)14-30-26(33-24)31-22-5-4-17(13-29-22)15-35-9-7-34(2)8-10-35/h4-5,11-14,16H,3,6-10,15H2,1-2H3,(H,29,30,31,33) | 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 | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455058
(CHEMBL4208366 | US10696678, Example 14)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34) | 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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455050
(CHEMBL4208172 | US10696678, Example 18 | US1135117...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)17-18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-16H,4,7-12,17H2,1-3H3,(H,31,32,33,35) | 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 | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
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 | 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 4
(Homo sapiens (Human)) | BDBM50455054
(CHEMBL4207451 | US10696678, Example 48)Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CC3)cn2)ncc1F Show InChI InChI=1S/C29H32F2N8/c1-29(2)8-7-25-35-27-21(30)13-19(14-23(27)39(25)29)26-22(31)16-33-28(36-26)34-24-6-3-18(15-32-24)17-37-9-11-38(12-10-37)20-4-5-20/h3,6,13-16,20H,4-5,7-12,17H2,1-2H3,(H,32,33,34,36) | 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 | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
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
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 10 | 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 N-terminal GST-tagged CDK4 (M1 to A326 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using Rb prot... |
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 4
(Homo sapiens (Human)) | BDBM50455074
(CHEMBL4217694 | US10696678, Example 67)Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F Show InChI InChI=1S/C27H30F2N8/c1-3-19-5-7-24-33-26-20(28)12-18(13-22(26)37(19)24)25-21(29)15-31-27(34-25)32-23-6-4-17(14-30-23)16-36-10-8-35(2)9-11-36/h4,6,12-15,19H,3,5,7-11,16H2,1-2H3,(H,30,31,32,34) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455048
(CHEMBL4210707 | US10696678, Example 36)Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F Show InChI InChI=1S/C28H31F3N8/c1-28(2)6-5-24-35-26-20(30)13-19(14-22(26)39(24)28)25-21(31)16-33-27(36-25)34-23-4-3-18(15-32-23)17-38-11-9-37(8-7-29)10-12-38/h3-4,13-16H,5-12,17H2,1-2H3,(H,32,33,34,36) | 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 | 11 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455061
(CHEMBL4211828 | US10696678, Example 65)Show SMILES CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-17(2)37-10-8-36(9-11-37)16-19-5-6-24(31-14-19)33-28-32-15-22(30)26(35-28)20-12-21(29)27-23(13-20)38-18(3)4-7-25(38)34-27/h5-6,12-15,17-18H,4,7-11,16H2,1-3H3,(H,31,32,33,35) | 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 | 13 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455060
(CHEMBL4213847 | US10696678, Example 70)Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F Show InChI InChI=1S/C28H32F2N8/c1-3-20-6-8-25-34-27-21(29)13-19(14-23(27)38(20)25)26-22(30)16-32-28(35-26)33-24-7-5-18(15-31-24)17-37-11-9-36(4-2)10-12-37/h5,7,13-16,20H,3-4,6,8-12,17H2,1-2H3,(H,31,32,33,35) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455053
(CHEMBL4215568 | US10696678, Example 49)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)Cn5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-3-35-6-8-36(9-7-35)16-18-4-5-23(30-13-18)32-27-31-14-21(29)25(34-27)19-11-20(28)26-22(12-19)37-15-17(2)10-24(37)33-26/h4-5,11-14,17H,3,6-10,15-16H2,1-2H3,(H,30,31,32,34) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455051
(CHEMBL4210028 | US10696678, Example 24)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-8-24(30-16-19)33-27-31-17-21(29)26(34-27)20-6-7-22-23(15-20)37-25(32-22)9-10-28(37,2)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,30,31,33,34) | 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 | 16 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455064
(CHEMBL4211479 | US10696678, Example 37)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1 Show InChI InChI=1S/C29H34F2N8/c1-5-37-10-12-38(13-11-37)17-19-6-7-24(33-18(19)2)34-28-32-16-22(31)26(36-28)20-14-21(30)27-23(15-20)39-25(35-27)8-9-29(39,3)4/h6-7,14-16H,5,8-13,17H2,1-4H3,(H,32,33,34,36) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455068
(CHEMBL4205645 | US10696678, Example 22)Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-6-24(31-17-19)33-27-30-10-8-22(32-27)20-15-21(29)26-23(16-20)37-25(34-26)7-9-28(37,2)3/h5-6,8,10,15-17H,4,7,9,11-14,18H2,1-3H3,(H,30,31,32,33) | 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 | 17 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455059
(CHEMBL4214566 | US10696678, Example 12)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C26H28F2N8/c1-2-34-8-10-35(11-9-34)16-17-5-6-22(29-14-17)31-26-30-15-20(28)24(33-26)18-12-19(27)25-21(13-18)36-7-3-4-23(36)32-25/h5-6,12-15H,2-4,7-11,16H2,1H3,(H,29,30,31,33) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455067
(CHEMBL4207966 | US10696678, Example 73)Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H31FN8/c1-3-34-10-12-35(13-11-34)17-19-5-6-24(30-16-19)32-27-29-9-8-22(31-27)20-14-21(28)26-23(15-20)36-18(2)4-7-25(36)33-26/h5-6,8-9,14-16,18H,3-4,7,10-13,17H2,1-2H3,(H,29,30,31,32) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM448934
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CN1CCNCC1 Show InChI InChI=1S/C27H30F2N8/c1-16-17(15-36-10-8-30-9-11-36)4-5-22(32-16)33-26-31-14-20(29)24(35-26)18-12-19(28)25-21(13-18)37-23(34-25)6-7-27(37,2)3/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,32,33,35) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM448934
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CN1CCNCC1 Show InChI InChI=1S/C27H30F2N8/c1-16-17(15-36-10-8-30-9-11-36)4-5-22(32-16)33-26-31-14-20(29)24(35-26)18-12-19(28)25-21(13-18)37-23(34-25)6-7-27(37,2)3/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,32,33,35) | 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 | 19 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455054
(CHEMBL4207451 | US10696678, Example 48)Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CC3)cn2)ncc1F Show InChI InChI=1S/C29H32F2N8/c1-29(2)8-7-25-35-27-21(30)13-19(14-23(27)39(25)29)26-22(31)16-33-28(36-26)34-24-6-3-18(15-32-24)17-37-9-11-38(12-10-37)20-4-5-20/h3,6,13-16,20H,4-5,7-12,17H2,1-2H3,(H,32,33,34,36) | 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 | 19 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455062
(CHEMBL4207804 | US10696678, Example 56)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)(C)Cn5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-7-9-37(10-8-36)16-18-5-6-23(31-14-18)33-27-32-15-21(30)25(35-27)19-11-20(29)26-22(12-19)38-17-28(2,3)13-24(38)34-26/h5-6,11-12,14-15H,4,7-10,13,16-17H2,1-3H3,(H,31,32,33,35) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455060
(CHEMBL4213847 | US10696678, Example 70)Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F Show InChI InChI=1S/C28H32F2N8/c1-3-20-6-8-25-34-27-21(29)13-19(14-23(27)38(20)25)26-22(30)16-32-28(35-26)33-24-7-5-18(15-31-24)17-37-11-9-36(4-2)10-12-37/h5,7,13-16,20H,3-4,6,8-12,17H2,1-2H3,(H,31,32,33,35) | 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 | 22 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455073
(CHEMBL4216447 | US10696678, Example 38)Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1 Show InChI InChI=1S/C28H32F2N8/c1-17-18(16-37-11-9-36(4)10-12-37)5-6-23(32-17)33-27-31-15-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,32,33,35) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455066
(CHEMBL4212542 | US10696678, Example 60)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-3-35-8-10-36(11-9-35)16-18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)37-17(2)4-7-24(37)33-26/h5-6,12-15,17H,3-4,7-11,16H2,1-2H3,(H,30,31,32,34) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455066
(CHEMBL4212542 | US10696678, Example 60)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-3-35-8-10-36(11-9-35)16-18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)37-17(2)4-7-24(37)33-26/h5-6,12-15,17H,3-4,7-11,16H2,1-2H3,(H,30,31,32,34) | 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 | 28 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455062
(CHEMBL4207804 | US10696678, Example 56)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)(C)Cn5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-7-9-37(10-8-36)16-18-5-6-23(31-14-18)33-27-32-15-21(30)25(35-27)19-11-20(29)26-22(12-19)38-17-28(2,3)13-24(38)34-26/h5-6,11-12,14-15H,4,7-10,13,16-17H2,1-3H3,(H,31,32,33,35) | 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 | 36 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455052
(CHEMBL4215126 | US10696678, Example 64)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2C)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)16-19-6-7-24(32-18(19)3)33-28-31-15-22(30)26(35-28)20-13-21(29)27-23(14-20)38-17(2)5-8-25(38)34-27/h6-7,13-15,17H,4-5,8-12,16H2,1-3H3,(H,31,32,33,35) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455058
(CHEMBL4208366 | US10696678, Example 14)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34) | 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 | 46 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455064
(CHEMBL4211479 | US10696678, Example 37)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1 Show InChI InChI=1S/C29H34F2N8/c1-5-37-10-12-38(13-11-37)17-19-6-7-24(33-18(19)2)34-28-32-16-22(31)26(36-28)20-14-21(30)27-23(15-20)39-25(35-27)8-9-29(39,3)4/h6-7,14-16H,5,8-13,17H2,1-4H3,(H,32,33,34,36) | 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 | 46 | 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 | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50455063
(CHEMBL4213109 | US10696678, Example 51)Show SMILES CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F Show InChI InChI=1S/C28H32F2N8/c1-3-18-11-25-34-27-21(29)12-20(13-23(27)38(25)17-18)26-22(30)15-32-28(35-26)33-24-6-5-19(14-31-24)16-37-9-7-36(4-2)8-10-37/h5-6,12-15,18H,3-4,7-11,16-17H2,1-2H3,(H,31,32,33,35) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3
(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
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 56 | 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 CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min... |
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 4
(Homo sapiens (Human)) | BDBM50455065
(CHEMBL4204961 | US10696678, Example 16)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-2-36-10-12-37(13-11-36)18-19-7-8-24(31-16-19)33-28-32-17-22(30)26(35-28)20-14-21(29)27-23(15-20)38-9-5-3-4-6-25(38)34-27/h7-8,14-17H,2-6,9-13,18H2,1H3,(H,31,32,33,35) | 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 | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay |
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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455052
(CHEMBL4215126 | US10696678, Example 64)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2C)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)16-19-6-7-24(32-18(19)3)33-28-31-15-22(30)26(35-28)20-13-21(29)27-23(14-20)38-17(2)5-8-25(38)34-27/h6-7,13-15,17H,4-5,8-12,16H2,1-3H3,(H,31,32,33,35) | 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 | 178 | 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 | |
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human)) | BDBM35440
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of XOD |
J Nat Prod 72: 1198-201 (2009)
Article DOI: 10.1021/np800643n BindingDB Entry DOI: 10.7270/Q200027K |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455059
(CHEMBL4214566 | US10696678, Example 12)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C26H28F2N8/c1-2-34-8-10-35(11-9-34)16-17-5-6-22(29-14-17)31-26-30-15-20(28)24(33-26)18-12-19(27)25-21(13-18)36-7-3-4-23(36)32-25/h5-6,12-15H,2-4,7-11,16H2,1H3,(H,29,30,31,33) | 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 | 244 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455065
(CHEMBL4204961 | US10696678, Example 16)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-2-36-10-12-37(13-11-36)18-19-7-8-24(31-16-19)33-28-32-17-22(30)26(35-28)20-14-21(29)27-23(15-20)38-9-5-3-4-6-25(38)34-27/h7-8,14-17H,2-6,9-13,18H2,1H3,(H,31,32,33,35) | 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 | 248 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455073
(CHEMBL4216447 | US10696678, Example 38)Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1 Show InChI InChI=1S/C28H32F2N8/c1-17-18(16-37-11-9-36(4)10-12-37)5-6-23(32-17)33-27-31-15-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,32,33,35) | 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 | 271 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455049
(CHEMBL4209318 | US10696678, Example 63)Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F Show InChI InChI=1S/C26H28F2N8/c1-16-3-6-23-32-25-19(27)11-18(12-21(25)36(16)23)24-20(28)14-30-26(33-24)31-22-5-4-17(13-29-22)15-35-9-7-34(2)8-10-35/h4-5,11-14,16H,3,6-10,15H2,1-2H3,(H,29,30,31,33) | 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 | 275 | 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 | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM50455063
(CHEMBL4213109 | US10696678, Example 51)Show SMILES CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F Show InChI InChI=1S/C28H32F2N8/c1-3-18-11-25-34-27-21(29)12-20(13-23(27)38(25)17-18)26-22(30)15-32-28(35-26)33-24-6-5-19(14-31-24)16-37-9-7-36(4-2)8-10-37/h5-6,12-15,18H,3-4,7-11,16-17H2,1-2H3,(H,31,32,33,35) | 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 | 339 | 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 | |