Found 254 hits with Last Name = 'he' and Initial = 'zh' 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)) | 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)) | 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)) | 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)) | 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
(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/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) |
Fumarate reductase
(Ascaris suum) | BDBM50198747
(CHEMBL3903155)Show SMILES [H][C@]12OC(=O)[C@](C)(C(=O)[C@@H]1C)[C@]2(C)\C=C(/C)\C=C\C=C\C=C\C=C(/C)[C@@H]1O[C@H](C)[C@](C)(O)C=C1C |r,c:34,TLB:13:11:3.2:9.7,4:3:11:9.7,8:7:3.2:11,THB:12:11:3.2:9.7| Show InChI InChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23-,25-,27+,28+,29-/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
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 |
Dalian University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft... |
Bioorg Med Chem Lett 26: 5328-5333 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7 |
More data for this
Ligand-Target Pair | |
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)) | 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)) | 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)) | 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
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B.MOAD
DrugBank
antibodypedia
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MCE
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PDB
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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) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
More data for this
Ligand-Target Pair | |
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 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/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 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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50582469
(CHEMBL5087997) | 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 |
TBA
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50582458
(CHEMBL5083395) | 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 |
TBA
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50582461
(CHEMBL5093633)Show SMILES Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
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 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)) | 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 | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HDAC2 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based micr... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 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)) | 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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50582456
(CHEMBL5081674)Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccc(O)c2)cc1 | 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 |
TBA
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50582455
(CHEMBL5081128)Show SMILES COc1ccccc1-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 | 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 |
TBA
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50582457
(CHEMBL5087466)Show SMILES OCc1cccc(c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12 |
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 8
(Homo sapiens (Human)) | BDBM50589858
(CHEMBL5177635)Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCC3CCN(CC(=O)Nc4ccc(Oc5ccc(NC(=O)Nc6cccc(c6)C(F)(F)F)cc5)cn4)CC3)[C@]1([H])NC(=O)N2 |r| | PDB
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01042
BindingDB Entry DOI: 10.7270/Q28W3J8D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213 | US11471446, Compound DBA-11)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01042
BindingDB Entry DOI: 10.7270/Q28W3J8D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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