Found 236 hits with Last Name = 'chen' and Initial = 'sw' 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
| 0.370 | 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 Aurora A (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126885
BindingDB Entry DOI: 10.7270/Q27P92X1 |
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
| 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 N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126885
BindingDB Entry DOI: 10.7270/Q27P92X1 |
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 N-terminal His6-tagged Aurora B (1 to 403 residues) (unknown origin) expressed in baculovirus expression system |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126885
BindingDB Entry DOI: 10.7270/Q27P92X1 |
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 B
(Homo sapiens (Human)) | BDBM50543551
(CHEMBL4633715)Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCP(O)(O)=O Show InChI InChI=1S/C26H31FN7O5P/c1-2-34(10-12-40(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.370 | 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 SW620 cells assessed as reduction in histone H3 phosphorylation on Ser10 by Alexafluor-488 goat anti-rabbit antibody/... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115351
BindingDB Entry DOI: 10.7270/Q2PC35XX |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50466808
(AZD-1152-HQPA | Barasertib)Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.370 | 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) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126885
BindingDB Entry DOI: 10.7270/Q27P92X1 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50612552
(CHEMBL5275552)Show SMILES Cc1ccc(NC(=O)Cn2cc(cn2)-c2ccc3c(NC(=O)c4ccc(cc4)N4CCNCC4)n[nH]c3c2)cc1C(F)(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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)) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged Aurora A expressed in baculovirus expression system by enzyme coupled assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115351
BindingDB Entry DOI: 10.7270/Q2PC35XX |
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 | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50570288
(CHEMBL4878552)Show SMILES Cc1ccc(NC(=O)Cn2cc(cn2)-c2ccc3c(NC(=O)c4cnn(C)c4)n[nH]c3c2)cc1C(F)(F)F | 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 | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of VEGFR2 (unknown origin) incubated for 10 mins followed by kinase substrate addition and measured after 30 mins by caliper mobility shif... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113192
BindingDB Entry DOI: 10.7270/Q2WQ07J0 |
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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| 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 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 | 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 as substrate after 60 mins by ADP-Glo luminescence assay |
Bioorg Med Chem Lett 29: 694-699 (2019)
Article DOI: 10.1016/j.bmcl.2019.01.034
BindingDB Entry DOI: 10.7270/Q2N019XQ |
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 | 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) after 1 hr in presence of ATP by Kinase-Glo reagent-based luminescence assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126885
BindingDB Entry DOI: 10.7270/Q27P92X1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50461786
(CHEMBL4228587)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C21H26N8OS/c1-14-12-19(27-26-14)23-18-13-20(29-10-8-28(3)9-11-29)25-21(24-18)31-17-6-4-16(5-7-17)22-15(2)30/h4-7,12-13H,8-11H2,1-3H3,(H,22,30)(H2,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | 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 as substrate after 30 mins by kinase-Glo luminescence method |
Bioorg Med Chem 26: 3217-3226 (2018)
Article DOI: 10.1016/j.bmc.2018.04.048
BindingDB Entry DOI: 10.7270/Q26H4M2H |
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
AffyNet
| 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)) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase A (unknown origin) incubated for 30 mins by Kinase Glo luminescent assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115351
BindingDB Entry DOI: 10.7270/Q2PC35XX |
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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 recombinant Aurora A (unknown origin) by radioactive flashplate assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115351
BindingDB Entry DOI: 10.7270/Q2PC35XX |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50570281
(CHEMBL4858003)Show SMILES Cc1ccc(NC(=O)Cn2cc(cn2)-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cc1C(F)(F)F | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of VEGFR2 (unknown origin) incubated for 10 mins followed by kinase substrate addition and measured after 30 mins by caliper mobility shif... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113192
BindingDB Entry DOI: 10.7270/Q2WQ07J0 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50570283
(CHEMBL4870465)Show SMILES CC(=O)Nc1n[nH]c2cc(ccc12)-c1cnn(CC(=O)Nc2ccc(C)c(c2)C(F)(F)F)c1 | 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 |
TBA
| Assay Description
Inhibition of VEGFR2 (unknown origin) incubated for 10 mins followed by kinase substrate addition and measured after 30 mins by caliper mobility shif... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113192
BindingDB Entry DOI: 10.7270/Q2WQ07J0 |
More data for this
Ligand-Target Pair | |
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 | |
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 | |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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 | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50570287
(CHEMBL4872941)Show SMILES Cc1ccc(NC(=O)Cn2cc(cn2)-c2ccc3c(NC(=O)c4cccnc4)n[nH]c3c2)cc1C(F)(F)F | 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 |
TBA
| Assay Description
Inhibition of VEGFR2 (unknown origin) incubated for 10 mins followed by kinase substrate addition and measured after 30 mins by caliper mobility shif... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113192
BindingDB Entry DOI: 10.7270/Q2WQ07J0 |
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 | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50612551
(CHEMBL5272444)Show SMILES Cc1ccc(NC(=O)Cn2cc(cn2)-c2ccc3c(NC(=O)c4ccc(N)cc4)n[nH]c3c2)cc1C(F)(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50570278
(CHEMBL4853592)Show SMILES Cc1ccc(NC(=O)Cn2cc(cn2)-c2ccc3c(N)n[nH]c3c2)cc1C(F)(F)F | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of VEGFR2 (unknown origin) incubated for 10 mins followed by kinase substrate addition and measured after 30 mins by caliper mobility shif... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113192
BindingDB Entry DOI: 10.7270/Q2WQ07J0 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50517699
(CHEMBL4443086)Show SMILES CCCCOC(=O)Cc1cc(Nc2nc(Nc3ccc(cc3)C(=O)NC3CC(C)(C)N([O])C(C)(C)C3)ncc2F)n[nH]1 |^1:31| Show InChI InChI=1S/C29H38FN8O4/c1-6-7-12-42-24(39)14-20-13-23(37-36-20)34-25-22(30)17-31-27(35-25)33-19-10-8-18(9-11-19)26(40)32-21-15-28(2,3)38(41)29(4,5)16-21/h8-11,13,17,21H,6-7,12,14-16H2,1-5H3,(H,32,40)(H3,31,33,34,35,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | 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 as substrate after 60 mins by ADP-Glo luminescence assay |
Bioorg Med Chem Lett 29: 694-699 (2019)
Article DOI: 10.1016/j.bmcl.2019.01.034
BindingDB Entry DOI: 10.7270/Q2N019XQ |
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)) | BDBM50547296
(CHEMBL4761521)Show SMILES O=C(NC1CCCCC1)Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of AuroraB (unknown origin) by Kinase-Glo luminescent kinase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127556
BindingDB Entry DOI: 10.7270/Q2377D9M |
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 | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 BD2 (unknown origin) preincubated for 15 mins followed by peptide addition and measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112780
BindingDB Entry DOI: 10.7270/Q2WM1J2S |
More data for this
Ligand-Target Pair | |
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