Found 47 hits with Last Name = 'borisa' and Initial = 'ac' 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 B/Inner centromere protein
(Homo sapiens (Human)) | BDBM209861
(5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl...)Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12 Show InChI InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B/INCENP (unknown origin) assessed as affinity constant pre-incubated for 1 hr followed by FL-PKAtide substrate and ATP addition |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of human Aurora B/INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 120 mins |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase C/Inner centromere protein
(Homo sapiens (Human)) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of human Aurora C/human GST-tagged INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 60 mins |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Targeting protein for Xklp2
(Homo sapiens) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of human Aurora A/TPX2 (unknown origin) pre-incubated for 30 mins before Biotin-Ahx-RARRRLSFFFFAKKK-NH2 substrate addition and measured af... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50175305
(CHEMBL3600873)Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged human Aurora A kinase expressed in Escherichia coli using Tetra-Kemptide and [gamma-33P]-ATP by liquid scintilla... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
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 |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
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 |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of full-length His-tagged recombinant aurora A (unknown origin) expressed in insect cells using biotinylated LRRWSLG substrate by Z'-LYTE ... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50466803
(AMG-900 | AMG900 | Amg 900)Show SMILES Cc1csc(c1)-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)cc2)c2ccccc12 Show InChI InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora C kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
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 |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50466802
(CHEMBL4277690)Show SMILES Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1 |t:12| Show InChI InChI=1S/C18H17ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-15-14-5-7-27-16(14)23-10-22-15/h1-3,5,7-10,18,21H,4,6H2,(H,20,22,23)(H2,24,25,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora C kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM31837
(2,4-Bisanilinopyrimidine, 10 | Aurora Inhibitor, 3...)Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 Show InChI InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38) | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of NH2-terminal GST-tagged recombinant full length human Aurora B kinase expressed in baculovirus |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50466803
(AMG-900 | AMG900 | Amg 900)Show SMILES Cc1csc(c1)-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)cc2)c2ccccc12 Show InChI InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora C kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of full-length His-tagged recombinant aurora B (unknown origin) expressed in insect cells using biotinylated LRRWSLG substrate by scintill... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50466803
(AMG-900 | AMG900 | Amg 900)Show SMILES Cc1csc(c1)-c1nnc(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)cc2)c2ccccc12 Show InChI InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora C kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50466802
(CHEMBL4277690)Show SMILES Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1 |t:12| Show InChI InChI=1S/C18H17ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-15-14-5-7-27-16(14)23-10-22-15/h1-3,5,7-10,18,21H,4,6H2,(H,20,22,23)(H2,24,25,26) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of aurora B in human MDA-MB-231 cells assessed as reduction in enzyme autophosphorylation incubated for 4 hrs by high-content immunofluore... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of NH2-terminal GST-tagged recombinant human Aurora A kinase (118-403 residues) expressed in baculovirus |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50466807
(CHEMBL1981047)Show SMILES COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Competitive inhibition of Aurora A kinase in human cells using varying ATP levels |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12985
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
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 |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM209861
(5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl...)Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12 Show InChI InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B/INCENP (unknown origin) pre-incubated for 1 hr followed by FL-PKAtide substrate and ATP addition |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of aurora A in human MDA-MB-231 cells assessed as reduction in enzyme autophosphorylation incubated for 4 hrs by high-content immunofluore... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A/Targeting protein for Xklp2
(Homo sapiens (Human)) | BDBM209861
(5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl...)Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12 Show InChI InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A/TPX2 (unknown origin) pre-incubated for 1 hr followed by FL-Kemptide substrate and ATP addition |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50466806
(PHA-680632)Show SMILES CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1 Show InChI InChI=1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant human Aurora A kinase expressed in High5 cells using LRRWSLGL substrate and [gamma33-ATP] by scintillation proxi... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50243388
(AT-9283 | US10981896, Compound AT9283)Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B kinase in human HCT116 cells assessed as reduction in polyploid phenotype |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50466802
(CHEMBL4277690)Show SMILES Clc1cccc(NC(=O)NC2NC=C(CCNc3ncnc4sccc34)S2)c1 |t:12| Show InChI InChI=1S/C18H17ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-15-14-5-7-27-16(14)23-10-22-15/h1-3,5,7-10,18,21H,4,6H2,(H,20,22,23)(H2,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50466805
(CHEMBL4282530)Show SMILES COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-16-9-7-14(8-10-16)22(28)26-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50200392
(CHEMBL383899 | Cyclopropanecarboxylic acid-(3-(4-(...)Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1 Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM4811
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of aurora B in human MDA-MB-231 cells assessed as reduction in phosphorylation of histone H3 on Ser10 incubated for 4 hrs by high-content ... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50466805
(CHEMBL4282530)Show SMILES COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-16-9-7-14(8-10-16)22(28)26-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)(H,23,24,25) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora 2 (unknown origin) expressed in Sf21 insect cells incubated for 60 mins using [biotin LRRWSLGLRRWSLGLRRWSLGLRRWSLG s... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM12985
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora C kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM12985
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM14210
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50466806
(PHA-680632)Show SMILES CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1 Show InChI InChI=1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant human Aurora C kinase expressed in High5 cells using Auroratide substrate and [gamma33-ATP] by scintillation pro... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM14210
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50466806
(PHA-680632)Show SMILES CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1 Show InChI InChI=1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant human Aurora B kinase expressed in High5 cells using Auroratide substrate and [gamma33-ATP] by scintillation pro... |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant aurora B (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50372017
(CHEMBL1589017)Show SMILES Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1 Show InChI InChI=1S/C19H14N4O3/c24-18-13-11-22(10-12-5-2-1-3-6-12)19(25)17(13)20-16-9-14(21-23(16)18)15-7-4-8-26-15/h1-9,21H,10-11H2 | 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 | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50335609
(3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C26H31BrN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair | |
Search and Browse
