Found 49 hits with Last Name = 'qin' and Initial = 'ww' 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 |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His6-tagged Aurora A (62 to 344 residues) (unknown origin) expressed in baculovirus expression system |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
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 |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
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 |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His6-tagged Aurora B (1 to 403 residues) (unknown origin) expressed in baculovirus expression system |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503744
(CHEMBL4563026)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C33H34ClFN7O3/c1-32(2)17-24(18-33(3,4)42(32)45)38-29(43)20-11-15-23(16-12-20)39-31-36-19-26(35)28(41-31)37-22-13-9-21(10-14-22)30(44)40-27-8-6-5-7-25(27)34/h5-16,19,24H,17-18H2,1-4H3,(H,38,43)(H,40,44)(H2,36,37,39,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503745
(CHEMBL4460717)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3cccc(Cl)c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-26(18-33(3,4)42(32)47)38-30(44)21-10-14-24(15-11-21)39-31-35-19-27(41(45)46)28(40-31)36-23-12-8-20(9-13-23)29(43)37-25-7-5-6-22(34)16-25/h5-16,19,26H,17-18H2,1-4H3,(H,37,43)(H,38,44)(H2,35,36,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503748
(CHEMBL4440617)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3cccc(-[#8])c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-8-10-17(11-9-16)30-24-27-15-21(32(36)37)22(31-24)28-18-6-5-7-20(34)12-18/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503740
(CHEMBL4451940)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C26H29ClFN6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-20(28)22(33-24)32-21-8-6-5-7-19(21)27/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503749
(CHEMBL4455202)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(Cl)c(-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C26H29Cl2N6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-20(28)22(33-24)32-21-8-6-5-7-19(21)27/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503749
(CHEMBL4455202)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(Cl)c(-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C26H29Cl2N6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-20(28)22(33-24)32-21-8-6-5-7-19(21)27/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503741
(CHEMBL4443125)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(Cl)cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H29ClN7O4/c1-25(2)13-20(14-26(3,4)34(25)38)30-23(35)16-5-9-19(10-6-16)31-24-28-15-21(33(36)37)22(32-24)29-18-11-7-17(27)8-12-18/h5-12,15,20H,13-14H2,1-4H3,(H,30,35)(H2,28,29,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503737
(CHEMBL4471448)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(Br)c(-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C26H29BrClN6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-19(27)22(33-24)32-21-8-6-5-7-20(21)28/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503743
(CHEMBL4447241)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(-[#8])cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-5-7-18(8-6-16)30-24-27-15-21(32(36)37)22(31-24)28-17-9-11-20(34)12-10-17/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503739
(CHEMBL4457980)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3cccc(Cl)c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H29ClN7O4/c1-25(2)13-20(14-26(3,4)34(25)38)30-23(35)16-8-10-18(11-9-16)31-24-28-15-21(33(36)37)22(32-24)29-19-7-5-6-17(27)12-19/h5-12,15,20H,13-14H2,1-4H3,(H,30,35)(H2,28,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503750
(CHEMBL4516770)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccc(Cl)cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-26(18-33(3,4)42(32)47)38-30(44)21-7-13-25(14-8-21)39-31-35-19-27(41(45)46)28(40-31)36-23-11-5-20(6-12-23)29(43)37-24-15-9-22(34)10-16-24/h5-16,19,26H,17-18H2,1-4H3,(H,37,43)(H,38,44)(H2,35,36,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50466804
(CHEMBL4289017)Show SMILES [H][C@@]12CC[C@@]([H])(N1C(=O)CNC(C)=O)c1cc(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)ccc21 |r,TLB:7:6:14.35:2.3| Show InChI InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full-length His-tagged Aurora A (unknown origin) expressed in insect cells using biotinylated LRRWSLG as substrate in prese... |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
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
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antibodypedia
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MCE
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503740
(CHEMBL4451940)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C26H29ClFN6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-20(28)22(33-24)32-21-8-6-5-7-19(21)27/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
MCE
PC cid
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PDB
UniChem
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| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503741
(CHEMBL4443125)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(Cl)cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H29ClN7O4/c1-25(2)13-20(14-26(3,4)34(25)38)30-23(35)16-5-9-19(10-6-16)31-24-28-15-21(33(36)37)22(32-24)29-18-11-7-17(27)8-12-18/h5-12,15,20H,13-14H2,1-4H3,(H,30,35)(H2,28,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50277584
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/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/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human FLT3 |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503747
(CHEMBL4520619)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccccc3Cl)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H29ClN7O4/c1-25(2)13-18(14-26(3,4)34(25)38)29-23(35)16-9-11-17(12-10-16)30-24-28-15-21(33(36)37)22(32-24)31-20-8-6-5-7-19(20)27/h5-12,15,18H,13-14H2,1-4H3,(H,29,35)(H2,28,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503746
(CHEMBL4528809)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 Show InChI InChI=1S/C30H29ClFN7O2/c1-39-16-14-23(15-17-39)35-28(40)19-8-12-22(13-9-19)36-30-33-18-25(32)27(38-30)34-21-10-6-20(7-11-21)29(41)37-26-5-3-2-4-24(26)31/h2-13,18,23H,14-17H2,1H3,(H,35,40)(H,37,41)(H2,33,34,36,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503744
(CHEMBL4563026)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C33H34ClFN7O3/c1-32(2)17-24(18-33(3,4)42(32)45)38-29(43)20-11-15-23(16-12-20)39-31-36-19-26(35)28(41-31)37-22-13-9-21(10-14-22)30(44)40-27-8-6-5-7-25(27)34/h5-16,19,24H,17-18H2,1-4H3,(H,38,43)(H,40,44)(H2,36,37,39,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503737
(CHEMBL4471448)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(Br)c(-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C26H29BrClN6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-19(27)22(33-24)32-21-8-6-5-7-20(21)28/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503738
(CHEMBL4442043)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccccc3Cl)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-24(18-33(3,4)42(32)47)37-29(43)20-11-15-23(16-12-20)38-31-35-19-27(41(45)46)28(40-31)36-22-13-9-21(10-14-22)30(44)39-26-8-6-5-7-25(26)34/h5-16,19,24H,17-18H2,1-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503747
(CHEMBL4520619)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccccc3Cl)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H29ClN7O4/c1-25(2)13-18(14-26(3,4)34(25)38)29-23(35)16-9-11-17(12-10-16)30-24-28-15-21(33(36)37)22(32-24)31-20-8-6-5-7-19(20)27/h5-12,15,18H,13-14H2,1-4H3,(H,29,35)(H2,28,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503748
(CHEMBL4440617)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3cccc(-[#8])c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-8-10-17(11-9-16)30-24-27-15-21(32(36)37)22(31-24)28-18-6-5-7-20(34)12-18/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503743
(CHEMBL4447241)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(-[#8])cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-5-7-18(8-6-16)30-24-27-15-21(32(36)37)22(31-24)28-17-9-11-20(34)12-10-17/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
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
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| 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 |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse Aurora A kinase expressed in Sf9 cells using Biotin-GLRRASLG as substrate in presence of [gamma33]P-ATP by FlashPlate... |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50466804
(CHEMBL4289017)Show SMILES [H][C@@]12CC[C@@]([H])(N1C(=O)CNC(C)=O)c1cc(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)ccc21 |r,TLB:7:6:14.35:2.3| Show InChI InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1 | PDB
Reactome pathway
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full-length His-tagged Aurora B (unknown origin) expressed in insect cells using biotinylated LRRWSLG as substrate measured... |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503738
(CHEMBL4442043)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccccc3Cl)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-24(18-33(3,4)42(32)47)37-29(43)20-11-15-23(16-12-20)38-31-35-19-27(41(45)46)28(40-31)36-22-13-9-21(10-14-22)30(44)39-26-8-6-5-7-25(26)34/h5-16,19,24H,17-18H2,1-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503744
(CHEMBL4563026)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C33H34ClFN7O3/c1-32(2)17-24(18-33(3,4)42(32)45)38-29(43)20-11-15-23(16-12-20)39-31-36-19-26(35)28(41-31)37-22-13-9-21(10-14-22)30(44)40-27-8-6-5-7-25(27)34/h5-16,19,24H,17-18H2,1-4H3,(H,38,43)(H,40,44)(H2,36,37,39,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A phosphorylation at Thr288 residue in human HeLa cells after 12 hrs by ELISA |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503742
(CHEMBL4525614)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccccc3-[#8])n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-18(14-26(3,4)33(25)38)28-23(35)16-9-11-17(12-10-16)29-24-27-15-20(32(36)37)22(31-24)30-19-7-5-6-8-21(19)34/h5-12,15,18,34H,13-14H2,1-4H3,(H,28,35)(H2,27,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503742
(CHEMBL4525614)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccccc3-[#8])n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-18(14-26(3,4)33(25)38)28-23(35)16-9-11-17(12-10-16)29-24-27-15-20(32(36)37)22(31-24)30-19-7-5-6-8-21(19)34/h5-12,15,18,34H,13-14H2,1-4H3,(H,28,35)(H2,27,29,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50079534
(CHEMBL3417325)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
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
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A phosphorylation at Thr288 residue in human HeLa cells after 12 hrs by ELISA |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277584
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/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/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Aurora A |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
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
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50503750
(CHEMBL4516770)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccc(Cl)cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-26(18-33(3,4)42(32)47)38-30(44)21-7-13-25(14-8-21)39-31-35-19-27(41(45)46)28(40-31)36-23-11-5-20(6-12-23)29(43)37-24-15-9-22(34)10-16-24/h5-16,19,26H,17-18H2,1-4H3,(H,37,43)(H,38,44)(H2,35,36,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503739
(CHEMBL4457980)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3cccc(Cl)c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H29ClN7O4/c1-25(2)13-20(14-26(3,4)34(25)38)30-23(35)16-8-10-18(11-9-16)31-24-28-15-21(33(36)37)22(32-24)29-19-7-5-6-17(27)12-19/h5-12,15,20H,13-14H2,1-4H3,(H,30,35)(H2,28,29,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503745
(CHEMBL4460717)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3cccc(Cl)c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-26(18-33(3,4)42(32)47)38-30(44)21-10-14-24(15-11-21)39-31-35-19-27(41(45)46)28(40-31)36-23-12-8-20(9-13-23)29(43)37-25-7-5-6-22(34)16-25/h5-16,19,26H,17-18H2,1-4H3,(H,37,43)(H,38,44)(H2,35,36,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50079535
(CHEMBL3417327)Show SMILES COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C23H31FN6O2/c1-30-11-9-17(10-12-30)27-22(31)15-7-8-19(20(13-15)32-2)28-23-25-14-18(24)21(29-23)26-16-5-3-4-6-16/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3,(H,27,31)(H2,25,26,28,29) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503746
(CHEMBL4528809)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 Show InChI InChI=1S/C30H29ClFN7O2/c1-39-16-14-23(15-17-39)35-28(40)19-8-12-22(13-9-19)36-30-33-18-25(32)27(38-30)34-21-10-6-20(7-11-21)29(41)37-26-5-3-2-4-24(26)31/h2-13,18,23H,14-17H2,1H3,(H,35,40)(H,37,41)(H2,33,34,36,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
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
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B phosphorylation at Thr232 residue in human HeLa cells after 12 hrs by ELISA |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
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
| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50079535
(CHEMBL3417327)Show SMILES COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C23H31FN6O2/c1-30-11-9-17(10-12-30)27-22(31)15-7-8-19(20(13-15)32-2)28-23-25-14-18(24)21(29-23)26-16-5-3-4-6-16/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3,(H,27,31)(H2,25,26,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 395 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50079534
(CHEMBL3417325)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
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
| n/a | n/a | 453 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50503744
(CHEMBL4563026)Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C33H34ClFN7O3/c1-32(2)17-24(18-33(3,4)42(32)45)38-29(43)20-11-15-23(16-12-20)39-31-36-19-26(35)28(41-31)37-22-13-9-21(10-14-22)30(44)40-27-8-6-5-7-25(27)34/h5-16,19,24H,17-18H2,1-4H3,(H,38,43)(H,40,44)(H2,36,37,39,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 538 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B phosphorylation at Thr232 residue in human HeLa cells after 12 hrs by ELISA |
Bioorg Med Chem 27: 65-78 (2019)
Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR |
More data for this
Ligand-Target Pair | |
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