Found 690 hits with Last Name = 'fachin' and Initial = 'g' 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 |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069316
(CHEMBL3403549 | US9688661, 1-[2-Chloro-5-(trifluor...)Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H11ClF3N5O/c19-12-2-1-10(18(20,21)22)6-13(12)27-7-9(5-14(27)16(23)28)15-11-3-4-24-17(11)26-8-25-15/h1-8H,(H2,23,28)(H,24,25,26) | PDB
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 |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069322
(CHEMBL3403545)Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-11-3-4-13(20)8-15(11)25-9-12(7-16(25)18(21)26)17-14-5-6-22-19(14)24-10-23-17/h3-10H,2H2,1H3,(H2,21,26)(H,22,23,24) | PDB
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 |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069326
(CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...)Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23) | PDB
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 |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318089
(8-[(4-Acetylphenyl)amino]-1-methyl-4,5-dihydro-1H-...)Show SMILES CC(=O)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1 Show InChI InChI=1S/C19H18N6O2/c1-10(26)11-3-6-13(7-4-11)22-19-21-9-12-5-8-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-4,6-7,9H,5,8H2,1-2H3,(H2,20,27)(H,21,22,23) | 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 | 2 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318088
(8-[(3-Acetylphenyl)amino]-1-methyl-4,5-dihydro-1H-...)Show SMILES CC(=O)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C19H18N6O2/c1-10(26)11-4-3-5-13(8-11)22-19-21-9-12-6-7-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-5,8-9H,6-7H2,1-2H3,(H2,20,27)(H,21,22,23) | 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 | 2 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM31532
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21) | 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 | 2 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318087
(8-(Phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quin...)Show InChI InChI=1S/C16H14N6O/c17-15(23)14-11-7-6-9-8-18-16(19-10-4-2-1-3-5-10)20-12(9)13(11)21-22-14/h1-5,8H,6-7H2,(H2,17,23)(H,21,22)(H,18,19,20) | 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 | 2 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50318085
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50343559
(1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-...)Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31) | 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
Patents
Similars
| MMDB PDB 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
Bioorg Med Chem Lett 21: 2969-74 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497782
(CHEMBL3330130)Show SMILES CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F Show InChI InChI=1S/C18H16F3N5O/c1-2-9-3-4-10(18(19,20)21)7-11(9)15-12(16(22)27)8-14(25-15)13-5-6-24-17(23)26-13/h3-8,25H,2H2,1H3,(H2,22,27)(H2,23,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318085
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia 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 CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318090
(1-Methyl-8-{[4-(trifluoromethyl)phenyl]amino}-4,5-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H15F3N6O/c1-27-15-12(14(26-27)16(22)28)7-2-9-8-23-17(25-13(9)15)24-11-5-3-10(4-6-11)18(19,20)21/h3-6,8H,2,7H2,1H3,(H2,22,28)(H,23,24,25) | 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 | 3 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318080
(1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4...)Show InChI InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB 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 CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069366
(CHEMBL3403553)Show SMILES CCc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9,25H,2H2,1H3,(H2,21,26)(H,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this Ligand-Target Pair | |
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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
Bioorg Med Chem Lett 21: 2969-74 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50343568
(1-methyl-8-(5-(1-methyl-1,2,3,6-tetrahydropyridin-...)Show SMILES CN1CCC(=CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |c:4| Show InChI InChI=1S/C24H24F3N7O2/c1-33-9-7-13(8-10-33)14-4-6-18(36-24(25,26)27)17(11-14)30-23-29-12-15-3-5-16-20(22(28)35)32-34(2)21(16)19(15)31-23/h4,6-7,11-12H,3,5,8-10H2,1-2H3,(H2,28,35)(H,29,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
Bioorg Med Chem Lett 21: 2969-74 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W |
More data for this Ligand-Target Pair | |
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) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497795
(CHEMBL3330129)Show SMILES CCc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1 Show InChI InChI=1S/C17H16ClN5O/c1-2-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(22-15)13-5-6-21-17(20)23-13/h3-8,22H,2H2,1H3,(H2,19,24)(H2,20,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279340
((Z)-2-[(Furan-2-ylmethyl)-amino]-5-[1-(1H-pyrrolo[...)Show SMILES O=C1N=C(NCc2ccco2)SC1=Cc1c[nH]c2ncccc12 |w:13.15,t:2| Show InChI InChI=1S/C16H12N4O2S/c21-15-13(7-10-8-18-14-12(10)4-1-5-17-14)23-16(20-15)19-9-11-3-2-6-22-11/h1-8H,9H2,(H,17,18)(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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
Curated by ChEMBL
| Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C |
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)) | 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 | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318091
(8-[(4-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)Show SMILES COc1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1 Show InChI InChI=1S/C18H18N6O2/c1-24-16-13(15(23-24)17(19)25)8-3-10-9-20-18(22-14(10)16)21-11-4-6-12(26-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,19,25)(H,20,21,22) | 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 | 4 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318094
(1-Methyl-8-[(3-nitrophenyl)amino]-4,5-dihydro-1H-p...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c12 Show InChI InChI=1S/C17H15N7O3/c1-23-15-12(14(22-23)16(18)25)6-5-9-8-19-17(21-13(9)15)20-10-3-2-4-11(7-10)24(26)27/h2-4,7-8H,5-6H2,1H3,(H2,18,25)(H,19,20,21) | 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 | 5 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318093
(8-[(3-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)Show SMILES COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C18H18N6O2/c1-24-16-13(15(23-24)17(19)25)7-6-10-9-20-18(22-14(10)16)21-11-4-3-5-12(8-11)26-2/h3-5,8-9H,6-7H2,1-2H3,(H2,19,25)(H,20,21,22) | 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 | 5 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318092
(8-(Phenylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihyd...)Show SMILES NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,22,28)(H,23,24,25) | 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 | 5 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318095
(1-Methyl-8-{[3-(trifluoromethyl)phenyl]amino}-4,5-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H15F3N6O/c1-27-15-12(14(26-27)16(22)28)6-5-9-8-23-17(25-13(9)15)24-11-4-2-3-10(7-11)18(19,20)21/h2-4,7-8H,5-6H2,1H3,(H2,22,28)(H,23,24,25) | 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 | 6 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50318092
(8-(Phenylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihyd...)Show SMILES NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50318085
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50343569
(9-methyl-2-(5-(1-methylpiperidin-4-yl)-2-(trifluor...)Show SMILES CN1CCC(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C25H27F3N6O2/c1-33-9-7-14(8-10-33)15-4-6-20(36-25(26,27)28)19(11-15)31-24-30-12-16-3-5-17-18(23(29)35)13-34(2)22(17)21(16)32-24/h4,6,11-14H,3,5,7-10H2,1-2H3,(H2,29,35)(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
| 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
Bioorg Med Chem Lett 21: 2969-74 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W |
More data for this Ligand-Target Pair | 3D Structure (docked) |
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)) | 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 | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318074
(8-[(2-Aminophenyl)amino]-1-methyl-4,5-dihydro-1H-p...)Show InChI InChI=1S/C17H17N7O/c1-24-15-10(14(23-24)16(19)25)7-6-9-8-20-17(22-13(9)15)21-12-5-3-2-4-11(12)18/h2-5,8H,6-7,18H2,1H3,(H2,19,25)(H,20,21,22) | 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 | 7 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318062
(8-[(2-Fluorophenyl)amino]-1-methyl-4,5-dihydro-1H-...)Show InChI InChI=1S/C17H15FN6O/c1-24-15-10(14(23-24)16(19)25)7-6-9-8-20-17(22-13(9)15)21-12-5-3-2-4-11(12)18/h2-5,8H,6-7H2,1H3,(H2,19,25)(H,20,21,22) | 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 | 7 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318096
(1-Cyclohexyl-8-(phenylamino)-4,5-dihydro-1H-pyrazo...)Show SMILES NC(=O)c1nn(C2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C22H24N6O/c23-21(29)19-17-12-11-14-13-24-22(25-15-7-3-1-4-8-15)26-18(14)20(17)28(27-19)16-9-5-2-6-10-16/h1,3-4,7-8,13,16H,2,5-6,9-12H2,(H2,23,29)(H,24,25,26) | 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 | 7 | 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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM41575
(CHEMBL1094408 | US8614220, A85B1C1Z)Show SMILES COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H19F3N4O4/c1-12-16(13(2)33-28-12)10-29-17-5-4-15(7-18(17)32-11-20(29)30)21(31)27-9-14-3-6-19(26-8-14)22(23,24)25/h3-8H,9-11H2,1-2H3,(H,27,31) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.9 | n/a |
Nerviano Medical Sciences S.r.l.
US Patent
| Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. |
US Patent US8598172 (2013)
BindingDB Entry DOI: 10.7270/Q2SJ1J7D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069324
(CHEMBL3403543)Show InChI InChI=1S/C17H16ClN5O/c1-2-10-3-4-12(18)6-14(10)23-8-11(5-15(23)17(20)24)13-7-16(19)22-9-21-13/h3-9H,2H2,1H3,(H2,20,24)(H2,19,21,22) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
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
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Patents
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| 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) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50497793
(CHEMBL3330125)Show SMILES NC(=O)c1cc([nH]c1-c1cc(ccc1Cl)C(F)(F)F)-c1ccnc(N)n1 Show InChI InChI=1S/C16H11ClF3N5O/c17-10-2-1-7(16(18,19)20)5-8(10)13-9(14(21)26)6-12(24-13)11-3-4-23-15(22)25-11/h1-6,24H,(H2,21,26)(H2,22,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB 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 recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP |
Bioorg Med Chem 22: 4998-5012 (2014)
Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50069310
(CHEMBL3403552)Show SMILES Cc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-9-2-3-10(19)6-12(9)13-7-14(24-16(13)17(20)25)15-11-4-5-21-18(11)23-8-22-15/h2-8,24H,1H3,(H2,20,25)(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc... |
Bioorg Med Chem 23: 2387-407 (2015)
Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6 |
More data for this Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279338
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)Show SMILES O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2| Show InChI InChI=1S/C18H14N4OS/c23-17-15(9-13-11-20-16-14(13)7-4-8-19-16)24-18(22-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM31532
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| 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 Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50442760
(CHEMBL2443044)Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase-2 (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018 BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50442757
(CHEMBL2443026)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1 Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase-1 (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018 BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50442758
(CHEMBL2443139)Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase-1 (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018 BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50442759
(CHEMBL2443138)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1 Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase-1 (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018 BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50442760
(CHEMBL2443044)Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase-1 (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018 BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50442757
(CHEMBL2443026)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1 Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of Alk (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018 BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this Ligand-Target Pair | |