Found 16 hits of Enzyme Inhibition Constant Data 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)) | BDBM50435723
(CHEMBL2392549)Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1 Show InChI InChI=1S/C27H34ClF2N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435732
(CHEMBL2392556)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C30H41N7O3/c1-5-8-21-19-37(23-9-6-7-10-23)27-25(36(3)29(21)39)18-31-30(34-27)33-24-12-11-20(17-26(24)40-4)28(38)32-22-13-15-35(2)16-14-22/h5,11-12,17-18,21-23H,1,6-10,13-16,19H2,2-4H3,(H,32,38)(H,31,33,34)/t21-/m0/s1 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435724
(CHEMBL2392548)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C26H33F2N7O2/c1-33-13-11-19(12-14-33)30-23(36)17-7-9-18(10-8-17)31-25-29-15-21-22(32-25)35(20-5-3-4-6-20)16-26(27,28)24(37)34(21)2/h7-10,15,19-20H,3-6,11-14,16H2,1-2H3,(H,30,36)(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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435727
(CHEMBL2392545)Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1 Show InChI InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
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 |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435734
(CHEMBL2392554)Show SMILES CC[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C29H40FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h10-11,16-17,20-21H,5-9,12-15,18H2,1-4H3,(H,32,38)(H,31,33,34)/t29-/m1/s1 | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435728
(CHEMBL2392544)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@](F)(CN(C3CCCC3)c2n1)C=C)C(=O)NN1CCN(C)CC1 |r| Show InChI InChI=1S/C28H37FN8O3/c1-5-28(29)18-37(20-8-6-7-9-20)24-22(35(3)26(28)39)17-30-27(32-24)31-21-11-10-19(16-23(21)40-4)25(38)33-36-14-12-34(2)13-15-36/h5,10-11,16-17,20H,1,6-9,12-15,18H2,2-4H3,(H,33,38)(H,30,31,32)/t28-/m1/s1 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435735
(CHEMBL2392553)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33) | PDB
MMDB
NCI pathway
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435730
(CHEMBL2392558)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@](F)(CN(C3CCCC3)c2n1)C=C)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h5,10-11,16-17,20-21H,1,6-9,12-15,18H2,2-4H3,(H,32,38)(H,31,33,34)/t29-/m1/s1 | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435736
(CHEMBL2392552 | US9266890, I-3)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H37N7O3/c1-32-13-10-19(11-14-32)29-26(36)18-8-9-21(23(16-18)37-3)30-27-28-17-22-25(31-27)34(20-6-4-5-7-20)15-12-24(35)33(22)2/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,29,36)(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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435722
(CHEMBL2392550)Show SMILES COc1cc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc1C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H35F2N7O3/c1-34-12-10-17(11-13-34)31-24(37)20-9-8-18(14-22(20)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,17,19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435725
(CHEMBL2392547)Show SMILES COc1c(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)ccc(C(=O)NC2CCN(C)CC2)c1F Show InChI InChI=1S/C27H34F3N7O3/c1-35-12-10-16(11-13-35)32-24(38)18-8-9-19(22(40-3)21(18)28)33-26-31-14-20-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(20)2/h8-9,14,16-17H,4-7,10-13,15H2,1-3H3,(H,32,38)(H,31,33,34) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435731
(CHEMBL2392557)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C30H41N7O3/c1-5-8-21-19-37(23-9-6-7-10-23)27-25(36(3)29(21)39)18-31-30(34-27)33-24-12-11-20(17-26(24)40-4)28(38)32-22-13-15-35(2)16-14-22/h5,11-12,17-18,21-23H,1,6-10,13-16,19H2,2-4H3,(H,32,38)(H,31,33,34)/t21-/m1/s1 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435726
(CHEMBL2392546)Show SMILES COc1cc(cc(F)c1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H34F3N7O3/c1-35-10-8-17(9-11-35)32-24(38)16-12-19(28)22(21(13-16)40-3)33-26-31-14-20-23(34-26)37(18-6-4-5-7-18)15-27(29,30)25(39)36(20)2/h12-14,17-18H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34) | 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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435733
(CHEMBL2392555)Show SMILES CC[C@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C29H40FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h10-11,16-17,20-21H,5-9,12-15,18H2,1-4H3,(H,32,38)(H,31,33,34)/t29-/m0/s1 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435729
(CHEMBL2392543)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@](F)(CN(C3CCCC3)c2n1)C=C)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h5,10-11,16-17,20-21H,1,6-9,12-15,18H2,2-4H3,(H,32,38)(H,31,33,34)/t29-/m0/s1 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435721
(CHEMBL2392551)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)cc1C Show InChI InChI=1S/C27H35F2N7O2/c1-17-14-19(8-9-21(17)24(37)31-18-10-12-34(2)13-11-18)32-26-30-15-22-23(33-26)36(20-6-4-5-7-20)16-27(28,29)25(38)35(22)3/h8-9,14-15,18,20H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33) | PDB
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Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
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