Found 223 hits with Last Name = 'gianellini' and Initial = 'lm' 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 |
|---|
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329915
(1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-32-19-14(18(31-32)20(26)34)4-2-12-11-28-21(30-17(12)19)29-15-10-13(33-8-6-27-7-9-33)3-5-16(15)35-22(23,24)25/h3,5,10-11,27H,2,4,6-9H2,1H3,(H2,26,34)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329914
(1-methyl-8-(5-(4-methylpiperazin-1-yl)-2-(trifluor...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C23H25F3N8O2/c1-32-7-9-34(10-8-32)14-4-6-17(36-23(24,25)26)16(11-14)29-22-28-12-13-3-5-15-19(21(27)35)31-33(2)20(15)18(13)30-22/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329913
(1-(2-fluoroethyl)-8-(5-(piperazin-1-yl)-2-(trifluo...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCF)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H26F4N8O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(26,27)28)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-25)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11H2,1H3,(H2,29,37)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329926
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(n[nH]c4C(N)=O)-c3n2)c1 Show InChI InChI=1S/C22H23F3N8O2/c1-32-6-8-33(9-7-32)13-3-5-16(35-22(23,24)25)15(10-13)28-21-27-11-12-2-4-14-18(17(12)29-21)30-31-19(14)20(26)34/h3,5,10-11H,2,4,6-9H2,1H3,(H2,26,34)(H,30,31)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329929
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329927
(1-ethyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)...)Show SMILES CCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12 Show InChI InChI=1S/C24H27F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H2,28,36)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329916
(1-(2-chloroethyl)-8-(5-(piperazin-1-yl)-2-(trifluo...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCCl)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H26ClF3N8O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(26,27)28)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-25)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11H2,1H3,(H2,29,37)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329921
(8-(5-(4-ethylpiperazin-1-yl)-2-(trifluoromethoxy)p...)Show SMILES CCN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H27F3N8O2/c1-3-34-8-10-35(11-9-34)15-5-7-18(37-24(25,26)27)17(12-15)30-23-29-13-14-4-6-16-20(22(28)36)32-33(2)21(16)19(14)31-23/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H2,28,36)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361088
(CHEMBL1933582)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1 Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361089
(CHEMBL1933576)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1 Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329928
(1-(2-methoxyethyl)-8-(5-(piperazin-1-yl)-2-(triflu...)Show SMILES COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12 Show InChI InChI=1S/C25H29F3N8O3/c1-34-7-9-35(10-8-34)16-4-6-19(39-25(26,27)28)18(13-16)31-24-30-14-15-3-5-17-21(23(29)37)33-36(11-12-38-2)22(17)20(15)32-24/h4,6,13-14H,3,5,7-12H2,1-2H3,(H2,29,37)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361090
(CHEMBL1933577)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1 Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361091
(CHEMBL1933578)Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O Show InChI InChI=1S/C21H22F3N7O2/c1-30-12-13(19(25)32)10-17(30)15-4-5-27-20(28-15)29-16-11-14(31-8-6-26-7-9-31)2-3-18(16)33-21(22,23)24/h2-5,10-12,26H,6-9H2,1H3,(H2,25,32)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329923
(1-methyl-8-(5-(4-methyl-1,4-diazepan-1-yl)-2-(trif...)Show SMILES CN1CCCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H27F3N8O2/c1-33-8-3-9-35(11-10-33)15-5-7-18(37-24(25,26)27)17(12-15)30-23-29-13-14-4-6-16-20(22(28)36)32-34(2)21(16)19(14)31-23/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H2,28,36)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361092
(CHEMBL1933583)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1 Show InChI InChI=1S/C25H25F6N7O2/c1-36-8-10-37(11-9-36)15-2-3-21(40-25(29,30)31)18(12-15)35-23-33-6-4-17(34-23)20-13-16-19(5-7-32-22(16)39)38(20)14-24(26,27)28/h2-4,6,12-13H,5,7-11,14H2,1H3,(H,32,39)(H,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329932
(1-methyl-8-(2-(trifluoromethoxy)phenylamino)-4,5-d...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H15F3N6O2/c1-27-15-10(14(26-27)16(22)28)7-6-9-8-23-17(25-13(9)15)24-11-4-2-3-5-12(11)29-18(19,20)21/h2-5,8H,6-7H2,1H3,(H2,22,28)(H,23,24,25) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329924
(1-methyl-8-(5-(4-(pyrrolidin-1-yl)piperidin-1-yl)-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCC(CC4)N4CCCC4)nc3-c12 Show InChI InChI=1S/C27H31F3N8O2/c1-36-24-19(23(35-36)25(31)39)6-4-16-15-32-26(34-22(16)24)33-20-14-18(5-7-21(20)40-27(28,29)30)38-12-8-17(9-13-38)37-10-2-3-11-37/h5,7,14-15,17H,2-4,6,8-13H2,1H3,(H2,31,39)(H,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329933
(1-methyl-8-(5-(4-(piperazine-1-carbonyl)piperazin-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)N4CCNCC4)nc3-c12 Show InChI InChI=1S/C27H31F3N10O3/c1-37-23-18(22(36-37)24(31)41)4-2-16-15-33-25(35-21(16)23)34-19-14-17(3-5-20(19)43-27(28,29)30)38-10-12-40(13-11-38)26(42)39-8-6-32-7-9-39/h3,5,14-15,32H,2,4,6-13H2,1H3,(H2,31,41)(H,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329931
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329934
(1-methyl-8-(5-(pyrrolidin-3-ylamino)-2-(trifluorom...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCNC5)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-33-19-14(18(32-33)20(26)34)4-2-11-9-28-21(31-17(11)19)30-15-8-12(29-13-6-7-27-10-13)3-5-16(15)35-22(23,24)25/h3,5,8-9,13,27,29H,2,4,6-7,10H2,1H3,(H2,26,34)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329933
(1-methyl-8-(5-(4-(piperazine-1-carbonyl)piperazin-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)N4CCNCC4)nc3-c12 Show InChI InChI=1S/C27H31F3N10O3/c1-37-23-18(22(36-37)24(31)41)4-2-16-15-33-25(35-21(16)23)34-19-14-17(3-5-20(19)43-27(28,29)30)38-10-12-40(13-11-38)26(42)39-8-6-32-7-9-39/h3,5,14-15,32H,2,4,6-13H2,1H3,(H2,31,41)(H,33,34,35) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361093
(CHEMBL1933584)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1 Show InChI InChI=1S/C25H28F3N7O3/c1-33-8-10-34(11-9-33)16-2-3-22(38-25(26,27)28)19(14-16)32-24-30-6-4-18(31-24)21-15-17-20(35(21)12-13-36)5-7-29-23(17)37/h2-4,6,14-15,36H,5,7-13H2,1H3,(H,29,37)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329932
(1-methyl-8-(2-(trifluoromethoxy)phenylamino)-4,5-d...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H15F3N6O2/c1-27-15-10(14(26-27)16(22)28)7-6-9-8-23-17(25-13(9)15)24-11-4-2-3-5-12(11)29-18(19,20)21/h2-5,8H,6-7H2,1H3,(H2,22,28)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329935
(1-methyl-8-(5-(2-(1-methylpyrrolidin-2-yl)ethylami...)Show SMILES CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C25H29F3N8O2/c1-35-11-3-4-16(35)9-10-30-15-6-8-19(38-25(26,27)28)18(12-15)32-24-31-13-14-5-7-17-21(23(29)37)34-36(2)22(17)20(14)33-24/h6,8,12-13,16,30H,3-5,7,9-11H2,1-2H3,(H2,29,37)(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329917
(4-(3-(3-carbamoyl-1-methyl-4,5-dihydro-1H-pyrazolo...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CC[N+](C)([O-])CC4)nc3-c12 Show InChI InChI=1S/C23H25F3N8O3/c1-32-20-15(19(31-32)21(27)35)5-3-13-12-28-22(30-18(13)20)29-16-11-14(4-6-17(16)37-23(24,25)26)33-7-9-34(2,36)10-8-33/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361094
(CHEMBL1933579)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1 Show InChI InChI=1S/C23H26F3N7O3/c1-31-6-8-32(9-7-31)16-2-3-20(36-23(24,25)26)18(13-16)30-22-28-5-4-17(29-22)19-12-15(21(27)35)14-33(19)10-11-34/h2-5,12-14,34H,6-11H2,1H3,(H2,27,35)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329931
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329929
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50329933
(1-methyl-8-(5-(4-(piperazine-1-carbonyl)piperazin-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)N4CCNCC4)nc3-c12 Show InChI InChI=1S/C27H31F3N10O3/c1-37-23-18(22(36-37)24(31)41)4-2-16-15-33-25(35-21(16)23)34-19-14-17(3-5-20(19)43-27(28,29)30)38-10-12-40(13-11-38)26(42)39-8-6-32-7-9-39/h3,5,14-15,32H,2,4,6-13H2,1H3,(H2,31,41)(H,33,34,35) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK2 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50329915
(1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-32-19-14(18(31-32)20(26)34)4-2-12-11-28-21(30-17(12)19)29-15-10-13(33-8-6-27-7-9-33)3-5-16(15)35-22(23,24)25/h3,5,10-11,27H,2,4,6-9H2,1H3,(H2,26,34)(H,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329922
(1-methyl-8-(5-(1-methylpiperidin-4-ylamino)-2-(tri...)Show SMILES CN1CCC(CC1)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H27F3N8O2/c1-34-9-7-14(8-10-34)30-15-4-6-18(37-24(25,26)27)17(11-15)31-23-29-12-13-3-5-16-20(22(28)36)33-35(2)21(16)19(13)32-23/h4,6,11-12,14,30H,3,5,7-10H2,1-2H3,(H2,28,36)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50329932
(1-methyl-8-(2-(trifluoromethoxy)phenylamino)-4,5-d...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H15F3N6O2/c1-27-15-10(14(26-27)16(22)28)7-6-9-8-23-17(25-13(9)15)24-11-4-2-3-5-12(11)29-18(19,20)21/h2-5,8H,6-7H2,1H3,(H2,22,28)(H,23,24,25) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK2 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50329913
(1-(2-fluoroethyl)-8-(5-(piperazin-1-yl)-2-(trifluo...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCF)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H26F4N8O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(26,27)28)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-25)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11H2,1H3,(H2,29,37)(H,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM27351
(2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50329929
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329934
(1-methyl-8-(5-(pyrrolidin-3-ylamino)-2-(trifluorom...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCNC5)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-33-19-14(18(32-33)20(26)34)4-2-11-9-28-21(31-17(11)19)30-15-8-12(29-13-6-7-27-10-13)3-5-16(15)35-22(23,24)25/h3,5,8-9,13,27,29H,2,4,6-7,10H2,1H3,(H2,26,34)(H,28,30,31) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329930
(CHEMBL1269487 | tert-butyl 4-(3-(3-carbamoyl-1-met...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)OC(C)(C)C)nc3-c12 Show InChI InChI=1S/C27H31F3N8O4/c1-26(2,3)42-25(40)38-11-9-37(10-12-38)16-6-8-19(41-27(28,29)30)18(13-16)33-24-32-14-15-5-7-17-21(23(31)39)35-36(4)22(17)20(15)34-24/h6,8,13-14H,5,7,9-12H2,1-4H3,(H2,31,39)(H,32,33,34) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361095
(CHEMBL1933580)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1 Show InChI InChI=1S/C28H34F3N7O4/c1-36-9-11-37(12-10-36)20-5-6-24(42-28(29,30)31)22(17-20)35-27-33-8-7-21(34-27)23-16-19(26(32)39)18-38(23)13-15-41-25-4-2-3-14-40-25/h5-8,16-18,25H,2-4,9-15H2,1H3,(H2,32,39)(H,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50329929
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK2 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek6
(Homo sapiens (Human)) | BDBM50329929
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 336 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of NEK6 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50329934
(1-methyl-8-(5-(pyrrolidin-3-ylamino)-2-(trifluorom...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCNC5)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-33-19-14(18(32-33)20(26)34)4-2-11-9-28-21(31-17(11)19)30-15-8-12(29-13-6-7-27-10-13)3-5-16(15)35-22(23,24)25/h3,5,8-9,13,27,29H,2,4,6-7,10H2,1H3,(H2,26,34)(H,28,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 414 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50329935
(1-methyl-8-(5-(2-(1-methylpyrrolidin-2-yl)ethylami...)Show SMILES CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C25H29F3N8O2/c1-35-11-3-4-16(35)9-10-30-15-6-8-19(38-25(26,27)28)18(12-15)32-24-31-13-14-5-7-17-21(23(29)37)34-36(2)22(17)20(14)33-24/h6,8,12-13,16,30H,3-5,7,9-11H2,1-2H3,(H2,29,37)(H,31,32,33) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 429 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK2 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329935
(1-methyl-8-(5-(2-(1-methylpyrrolidin-2-yl)ethylami...)Show SMILES CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C25H29F3N8O2/c1-35-11-3-4-16(35)9-10-30-15-6-8-19(38-25(26,27)28)18(12-15)32-24-31-13-14-5-7-17-21(23(29)37)34-36(2)22(17)20(14)33-24/h6,8,12-13,16,30H,3-5,7,9-11H2,1-2H3,(H2,29,37)(H,31,32,33) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 485 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek6
(Homo sapiens (Human)) | BDBM50329915
(1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-32-19-14(18(31-32)20(26)34)4-2-12-11-28-21(30-17(12)19)29-15-10-13(33-8-6-27-7-9-33)3-5-16(15)35-22(23,24)25/h3,5,10-11,27H,2,4,6-9H2,1H3,(H2,26,34)(H,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 595 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of NEK6 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50329933
(1-methyl-8-(5-(4-(piperazine-1-carbonyl)piperazin-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)N4CCNCC4)nc3-c12 Show InChI InChI=1S/C27H31F3N10O3/c1-37-23-18(22(36-37)24(31)41)4-2-16-15-33-25(35-21(16)23)34-19-14-17(3-5-20(19)43-27(28,29)30)38-10-12-40(13-11-38)26(42)39-8-6-32-7-9-39/h3,5,14-15,32H,2,4,6-13H2,1H3,(H2,31,41)(H,33,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 622 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50361088
(CHEMBL1933582)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1 Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 659 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50329934
(1-methyl-8-(5-(pyrrolidin-3-ylamino)-2-(trifluorom...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCNC5)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-33-19-14(18(32-33)20(26)34)4-2-11-9-28-21(31-17(11)19)30-15-8-12(29-13-6-7-27-10-13)3-5-16(15)35-22(23,24)25/h3,5,8-9,13,27,29H,2,4,6-7,10H2,1H3,(H2,26,34)(H,28,30,31) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 762 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK2 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50329930
(CHEMBL1269487 | tert-butyl 4-(3-(3-carbamoyl-1-met...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)OC(C)(C)C)nc3-c12 Show InChI InChI=1S/C27H31F3N8O4/c1-26(2,3)42-25(40)38-11-9-37(10-12-38)16-6-8-19(41-27(28,29)30)18(13-16)33-24-32-14-15-5-7-17-21(23(31)39)35-36(4)22(17)20(15)34-24/h6,8,13-14H,5,7,9-12H2,1-4H3,(H2,31,39)(H,32,33,34) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 768 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK2 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50361096
(CHEMBL1933585)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1 Show InChI InChI=1S/C29H34F3N7O4/c1-28(2,3)43-27(41)39-11-9-22-19(25(39)40)17-23(37(22)5)20-8-10-33-26(34-20)35-21-16-18(38-14-12-36(4)13-15-38)6-7-24(21)42-29(30,31)32/h6-8,10,16-17H,9,11-15H2,1-5H3,(H,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 817 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 22: 96-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50329930
(CHEMBL1269487 | tert-butyl 4-(3-(3-carbamoyl-1-met...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)OC(C)(C)C)nc3-c12 Show InChI InChI=1S/C27H31F3N8O4/c1-26(2,3)42-25(40)38-11-9-37(10-12-38)16-6-8-19(41-27(28,29)30)18(13-16)33-24-32-14-15-5-7-17-21(23(31)39)35-36(4)22(17)20(15)34-24/h6,8,13-14H,5,7,9-12H2,1-4H3,(H2,31,39)(H,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 859 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 20: 6489-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39 |
More data for this
Ligand-Target Pair | |
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