Found 94 hits with Last Name = 'long' and Initial = 'zj' 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 |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His-6-tagged recombinant Aurora 1 (62 to 344) (unknown origin) expressed in baculovirus expression system by radiometric ass... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His-6-tagged recombinant Aurora 3 (1 to 309) (unknown origin) expressed in baculovirus expression system by radiometric assa... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His-6-tagged recombinant Aurora 2 (1 to 403) (unknown origin) expressed in baculovirus expression system by radiometric assa... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K delta (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3K delta by scintillation proximity radiometric assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Mus musculus (mouse)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged recombinant mouse Aurora A expressed in Sf9 cells using biotin-GLRRASLG as peptide substrate by [gamma-33S]ATP binding assay |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50148942
(CHEMBL3769902)Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1 Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27) | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004231
(CHEMBL3237167)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H25N9O2S/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-14-3-5-15(6-4-14)31(20,29)30/h3-6,11-12H,7-10H2,1-2H3,(H2,20,29,30)(H3,21,22,23,24,25,26) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| PDB Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| PDB Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292244
(CHEMBL4175359)Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(F)c(Cl)c3)n2)N2CCOCC2)n[nH]1 Show InChI InChI=1S/C18H19ClFN7O/c1-11-8-16(26-25-11)22-15-10-17(27-4-6-28-7-5-27)24-18(23-15)21-12-2-3-14(20)13(19)9-12/h2-3,8-10H,4-7H2,1H3,(H3,21,22,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292245
(CHEMBL4168177)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(Cl)c2)n1 Show InChI InChI=1S/C19H22ClFN8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-15(21)14(20)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004234
(CHEMBL3237169)Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1Cl Show InChI InChI=1S/C21H25ClN8O2/c1-13-10-18(28-27-13)24-17-12-19(30-8-6-29(2)7-9-30)26-21(25-17)23-14-4-5-15(16(22)11-14)20(31)32-3/h4-5,10-12H,6-9H2,1-3H3,(H3,23,24,25,26,27,28) | 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 | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004230
(CHEMBL3237166)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H23N9/c1-14-11-18(27-26-14)23-17-12-19(29-9-7-28(2)8-10-29)25-20(24-17)22-16-5-3-15(13-21)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H3,22,23,24,25,26,27) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004222
(CHEMBL3237187)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H23ClN8/c1-13-10-17(26-25-13)22-16-12-18(28-8-6-27(2)7-9-28)24-19(23-16)21-15-5-3-4-14(20)11-15/h3-5,10-12H,6-9H2,1-2H3,(H3,21,22,23,24,25,26) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004232
(CHEMBL3237168)Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1 Show InChI InChI=1S/C18H20N8O3/c1-12-10-16(24-23-12)20-15-11-17(25-6-8-29-9-7-25)22-18(21-15)19-13-2-4-14(5-3-13)26(27)28/h2-5,10-11H,6-9H2,1H3,(H3,19,20,21,22,23,24) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149057
(CHEMBL3771212)Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccc[n+]([O-])c3)cc2n1 Show InChI InChI=1S/C21H20N8O2/c22-21-23-11-14(12-24-21)19-26-18-10-15(25-16-2-1-5-29(30)13-16)3-4-17(18)20(27-19)28-6-8-31-9-7-28/h1-5,10-13,25H,6-9H2,(H2,22,23,24) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004228
(CHEMBL3237164)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C19H23N9O2/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)20-14-3-5-15(6-4-14)28(29)30/h3-6,11-12H,7-10H2,1-2H3,(H3,20,21,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004223
(CHEMBL3237188)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C19H23ClN8/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149154
(CHEMBL3771146)Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3)cc2n1 Show InChI InChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-10-15(26-16-2-1-5-23-13-16)3-4-17(18)20(28-19)29-6-8-30-9-7-29/h1-5,10-13,26H,6-9H2,(H2,22,24,25) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50148942
(CHEMBL3769902)Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1 Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004206
(CHEMBL3237191)Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C21H25N7.C4H6O6/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17;5-1(3(7)8)2(6)4(9)10/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/b9-8+; | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Aurora A using peptide substrate PanVera Z'-Lyte kinase assay |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3K gamma by scintillation proximity radiometric assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of mTOR (unknown origin) |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004229
(CHEMBL3237165)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C19H23N9O2/c1-13-10-17(25-24-13)21-16-12-18(27-8-6-26(2)7-9-27)23-19(22-16)20-14-4-3-5-15(11-14)28(29)30/h3-5,10-12H,6-9H2,1-2H3,(H3,20,21,22,23,24,25) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292247
(CHEMBL4174228)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C19H22F2N8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-14(20)15(21)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292255
(CHEMBL4175679)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C20H24N8O2/c1-13-9-18(26-25-13)22-17-11-19(28-7-5-27(2)6-8-28)24-20(23-17)21-14-3-4-15-16(10-14)30-12-29-15/h3-4,9-11H,5-8,12H2,1-2H3,(H3,21,22,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004216
(CHEMBL3237181)Show SMILES CC(C)OC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C23H30N8O2/c1-15(2)33-22(32)17-5-7-18(8-6-17)24-23-26-19(25-20-13-16(3)28-29-20)14-21(27-23)31-11-9-30(4)10-12-31/h5-8,13-15H,9-12H2,1-4H3,(H3,24,25,26,27,28,29) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004219
(CHEMBL3237184)Show SMILES COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1 Show InChI InChI=1S/C20H26N8O/c1-14-11-18(26-25-14)22-17-13-19(28-9-7-27(2)8-10-28)24-20(23-17)21-15-5-4-6-16(12-15)29-3/h4-6,11-13H,7-10H2,1-3H3,(H3,21,22,23,24,25,26) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292248
(CHEMBL4163531)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)cc2)n1 Show InChI InChI=1S/C19H23FN8/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004209
(CHEMBL3237174)Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C20H23N7O3/c1-13-11-17(26-25-13)22-16-12-18(27-7-9-30-10-8-27)24-20(23-16)21-15-5-3-14(4-6-15)19(28)29-2/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292249
(CHEMBL4168905)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(F)c2)n1 Show InChI InChI=1S/C19H23FN8/c1-13-10-17(26-25-13)22-16-12-18(28-8-6-27(2)7-9-28)24-19(23-16)21-15-5-3-4-14(20)11-15/h3-5,10-12H,6-9H2,1-2H3,(H3,21,22,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50292245
(CHEMBL4168177)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(Cl)c2)n1 Show InChI InChI=1S/C19H22ClFN8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-15(21)14(20)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKB (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292246
(CHEMBL4160260)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)c(F)c2)n1 Show InChI InChI=1S/C19H22ClFN8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-14(20)15(21)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149153
(CHEMBL3769845)Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccccn3)cc2n1 Show InChI InChI=1S/C21H20N8O/c22-21-24-12-14(13-25-21)19-27-17-11-15(26-18-3-1-2-6-23-18)4-5-16(17)20(28-19)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H,23,26)(H2,22,24,25) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004215
(CHEMBL3237180)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C(O)=O)n1 Show InChI InChI=1S/C20H24N8O2/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-20(23-16)21-15-5-3-14(4-6-15)19(29)30/h3-6,11-12H,7-10H2,1-2H3,(H,29,30)(H3,21,22,23,24,25,26) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292250
(CHEMBL4162633)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C19H22Cl2N8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-14(20)15(21)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149055
(CHEMBL3771347)Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(NC(=O)c3cccnc3)cc2n1 Show InChI InChI=1S/C22H20N8O2/c23-22-25-12-15(13-26-22)19-28-18-10-16(27-21(31)14-2-1-5-24-11-14)3-4-17(18)20(29-19)30-6-8-32-9-7-30/h1-5,10-13H,6-9H2,(H,27,31)(H2,23,25,26) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004220
(CHEMBL3237185)Show SMILES COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C20H26N8O/c1-14-12-18(26-25-14)22-17-13-19(28-10-8-27(2)9-11-28)24-20(23-17)21-15-4-6-16(29-3)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H3,21,22,23,24,25,26) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004211
(CHEMBL3237176)Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C21H26N8O4S/c1-14-12-18(27-26-14)23-17-13-19(28-8-10-29(11-9-28)34(3,31)32)25-21(24-17)22-16-6-4-15(5-7-16)20(30)33-2/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23,24,25,26,27) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50292244
(CHEMBL4175359)Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(F)c(Cl)c3)n2)N2CCOCC2)n[nH]1 Show InChI InChI=1S/C18H19ClFN7O/c1-11-8-16(26-25-11)22-15-10-17(27-4-6-28-7-5-27)24-18(23-15)21-12-2-3-14(20)13(19)9-12/h2-3,8-10H,4-7H2,1H3,(H3,21,22,23,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKB (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292243
(CHEMBL4164736)Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1F Show InChI InChI=1S/C21H25FN8O2/c1-13-10-18(28-27-13)24-17-12-19(30-8-6-29(2)7-9-30)26-21(25-17)23-14-4-5-15(16(22)11-14)20(31)32-3/h4-5,10-12H,6-9H2,1-3H3,(H3,23,24,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50292254
(CHEMBL4165059)Show SMILES COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1OC Show InChI InChI=1S/C21H28N8O2/c1-14-11-19(27-26-14)23-18-13-20(29-9-7-28(2)8-10-29)25-21(24-18)22-15-5-6-16(30-3)17(12-15)31-4/h5-6,11-13H,7-10H2,1-4H3,(H3,22,23,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi... |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004207
(CHEMBL3237172)Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C21H26N8O2/c1-14-12-18(27-26-14)23-17-13-19(29-10-8-28(2)9-11-29)25-21(24-17)22-16-6-4-15(5-7-16)20(30)31-3/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23,24,25,26,27) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after... |
Eur J Med Chem 78: 65-71 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149210
(CHEMBL3769994)Show InChI InChI=1S/C16H17N7O/c17-11-1-2-12-13(7-11)21-14(10-8-19-16(18)20-9-10)22-15(12)23-3-5-24-6-4-23/h1-2,7-9H,3-6,17H2,(H2,18,19,20) | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50148942
(CHEMBL3769902)Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1 Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K delta (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50292250
(CHEMBL4162633)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C19H22Cl2N8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-14(20)15(21)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol. |
Eur J Med Chem 145: 805-812 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 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
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PI3K gamma (unknown origin) after 1 hr by ADP-Glo luminescent assay |
Eur J Med Chem 108: 644-54 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5 |
More data for this Ligand-Target Pair | |