Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50032850 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)) | BDBM50318595
(6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-pipera...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)no1 Show InChI InChI=1S/C26H30BrN7O2/c1-18-14-21(31-36-18)17-32-6-8-34(9-7-32)24-22(27)15-28-26-23(24)29-25(30-26)20-4-2-19(3-5-20)16-33-10-12-35-13-11-33/h2-5,14-15H,6-13,16-17H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318575
(2-{4-[6-Chloro-2-(4-morpholin-4-ylmethylphenyl)-3H...)Show SMILES Clc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H29ClN8O2S/c27-20-15-29-25-22(23(20)35-8-6-33(7-9-35)17-21(36)30-26-28-5-14-38-26)31-24(32-25)19-3-1-18(2-4-19)16-34-10-12-37-13-11-34/h1-5,14-15H,6-13,16-17H2,(H,28,30,36)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335612
(3-((4-(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)-6-chl...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(Cn3cccn3)cc2)no1 Show InChI InChI=1S/C25H25ClN8O/c1-17-13-20(31-35-17)16-32-9-11-33(12-10-32)23-21(26)14-27-25-22(23)29-24(30-25)19-5-3-18(4-6-19)15-34-8-2-7-28-34/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335617
(4-(4-(6-bromo-7-(4-(pyridin-4-ylmethyl)piperazin-1...)Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(Cc2ccncc2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C27H30BrN7O/c28-23-17-30-27-24(25(23)35-11-9-33(10-12-35)19-21-5-7-29-8-6-21)31-26(32-27)22-3-1-20(2-4-22)18-34-13-15-36-16-14-34/h1-8,17H,9-16,18-19H2,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318590
(4-(4-(6-Bromo-7-(4-(pyrimidin-5-ylmethyl)piperazin...)Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(Cc2cncnc2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H29BrN8O/c27-22-15-30-26-23(24(22)35-7-5-33(6-8-35)17-20-13-28-18-29-14-20)31-25(32-26)21-3-1-19(2-4-21)16-34-9-11-36-12-10-34/h1-4,13-15,18H,5-12,16-17H2,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318602
(4-(4-(6-Bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1...)Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(Cc2cscn2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C25H28BrN7OS/c26-21-13-27-25-22(23(21)33-7-5-31(6-8-33)15-20-16-35-17-28-20)29-24(30-25)19-3-1-18(2-4-19)14-32-9-11-34-12-10-32/h1-4,13,16-17H,5-12,14-15H2,(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318589
(6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyrimidin-5-ylme...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1 Show InChI InChI=1S/C22H22BrN7O/c1-31-17-4-2-16(3-5-17)21-27-19-20(18(23)12-26-22(19)28-21)30-8-6-29(7-9-30)13-15-10-24-14-25-11-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335615
(6-bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-4-ylmeth...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccncc4)CC3)c2[nH]1 Show InChI InChI=1S/C23H23BrN6O/c1-31-18-4-2-17(3-5-18)22-27-20-21(19(24)14-26-23(20)28-22)30-12-10-29(11-13-30)15-16-6-8-25-9-7-16/h2-9,14H,10-13,15H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318605
((4-(6-Bromo-7-(4-((5-methylisoxazol-3-yl)methyl)pi...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN)cc2)no1 Show InChI InChI=1S/C22H24BrN7O/c1-14-10-17(28-31-14)13-29-6-8-30(9-7-29)20-18(23)12-25-22-19(20)26-21(27-22)16-4-2-15(11-24)3-5-16/h2-5,10,12H,6-9,11,13,24H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318603
(3-((4-(6-Bromo-2-(4-(piperazin-1-ylmethyl)phenyl)-...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCNCC3)cc2)no1 Show InChI InChI=1S/C26H31BrN8O/c1-18-14-21(32-36-18)17-34-10-12-35(13-11-34)24-22(27)15-29-26-23(24)30-25(31-26)20-4-2-19(3-5-20)16-33-8-6-28-7-9-33/h2-5,14-15,28H,6-13,16-17H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335608
(3-((4-(6-bromo-2-(4-(piperazin-1-yl)phenyl)-3H-imi...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCNCC2)no1 Show InChI InChI=1S/C25H29BrN8O/c1-17-14-19(31-35-17)16-32-10-12-34(13-11-32)23-21(26)15-28-25-22(23)29-24(30-25)18-2-4-20(5-3-18)33-8-6-27-7-9-33/h2-5,14-15,27H,6-13,16H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335611
(3-((4-(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)-6-bro...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(Cn3cccn3)cc2)no1 Show InChI InChI=1S/C25H25BrN8O/c1-17-13-20(31-35-17)16-32-9-11-33(12-10-32)23-21(26)14-27-25-22(23)29-24(30-25)19-5-3-18(4-6-19)15-34-8-2-7-28-34/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335610
(3-((4-(6-chloro-2-(4-(4-methylpiperazin-1-yl)pheny...)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C26H31ClN8O/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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318592
(6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-...)Show SMILES Clc1ccc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335607
(1-(4'-(6-bromo-7-(4-((5-methylisoxazol-3-yl)methyl...)Show SMILES CC(=O)c1cccc(c1)-c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C29H27BrN6O2/c1-18-14-24(34-38-18)17-35-10-12-36(13-11-35)27-25(30)16-31-29-26(27)32-28(33-29)21-8-6-20(7-9-21)23-5-3-4-22(15-23)19(2)37/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,32,33) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318572
(2-{4-[6-Bromo-2-(4-dimethylaminomethylphenyl)-3H-i...)Show SMILES CN(C)Cc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C24H27BrN8OS/c1-31(2)14-16-3-5-17(6-4-16)22-29-20-21(18(25)13-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,26,28,34)(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318594
(6-Bromo-2-(4-methoxyphenyl)-7-[4-(5-methyl-isoxazo...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C22H23BrN6O2/c1-14-11-16(27-31-14)13-28-7-9-29(10-8-28)20-18(23)12-24-22-19(20)25-21(26-22)15-3-5-17(30-2)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318608
(2-(4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(OCCO)cc2)no1 Show InChI InChI=1S/C23H25ClN6O3/c1-15-12-17(28-33-15)14-29-6-8-30(9-7-29)21-19(24)13-25-23-20(21)26-22(27-23)16-2-4-18(5-3-16)32-11-10-31/h2-5,12-13,31H,6-11,14H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318607
(2-(4-(6-Bromo-7-(4-((5-methylisoxazol-3-yl)methyl)...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(OCCO)cc2)no1 Show InChI InChI=1S/C23H25BrN6O3/c1-15-12-17(28-33-15)14-29-6-8-30(9-7-29)21-19(24)13-25-23-20(21)26-22(27-23)16-2-4-18(5-3-16)32-11-10-31/h2-5,12-13,31H,6-11,14H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318600
(4-(4-(6-Bromo-7-(4-((1-methyl-1H-imidazol-2-yl)met...)Show SMILES Cn1ccnc1CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H31BrN8O/c1-32-7-6-28-22(32)18-33-8-10-35(11-9-33)24-21(27)16-29-26-23(24)30-25(31-26)20-4-2-19(3-5-20)17-34-12-14-36-15-13-34/h2-7,16H,8-15,17-18H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318599
(6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imi...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4nccn4C)CC3)c2[nH]1 Show InChI InChI=1S/C22H24BrN7O/c1-28-8-7-24-18(28)14-29-9-11-30(12-10-29)20-17(23)13-25-22-19(20)26-21(27-22)15-3-5-16(31-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318591
(6-Bromo-7-[4-(4-chlorobenzyl)-piperazin-1-yl]-2-(4...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1 Show InChI InChI=1S/C24H23BrClN5O/c1-32-19-8-4-17(5-9-19)23-28-21-22(20(25)14-27-24(21)29-23)31-12-10-30(11-13-31)15-16-2-6-18(26)7-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224734
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29) | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318569
(2-(4-(6-Cyano-2-(4-(dimethylamino)phenyl)-3H-imida...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C#N)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C24H25N9OS/c1-31(2)18-5-3-16(4-6-18)22-29-20-21(17(13-25)14-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12,14H,8-11,15H2,1-2H3,(H,26,28,34)(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318574
(2-(4-(6-Chloro-2-(4-methoxyphenyl)-3H-imidazo[4,5-...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C22H22ClN7O2S/c1-32-15-4-2-14(3-5-15)20-27-18-19(16(23)12-25-21(18)28-20)30-9-7-29(8-10-30)13-17(31)26-22-24-6-11-33-22/h2-6,11-12H,7-10,13H2,1H3,(H,24,26,31)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318568
(2-(4-(6-Cyclopropyl-2-(4-methoxyphenyl)-3H-imidazo...)Show SMILES COc1ccc(cc1)-c1nc2ncc(C3CC3)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C25H27N7O2S/c1-34-18-6-4-17(5-7-18)23-29-21-22(19(16-2-3-16)14-27-24(21)30-23)32-11-9-31(10-12-32)15-20(33)28-25-26-8-13-35-25/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,26,28,33)(H,27,29,30) | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318606
((4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)p...)Show SMILES Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(CN)cc2)no1 Show InChI InChI=1S/C22H24ClN7O/c1-14-10-17(28-31-14)13-29-6-8-30(9-7-29)20-18(23)12-25-22-19(20)26-21(27-22)16-4-2-15(11-24)3-5-16/h2-5,10,12H,6-9,11,13,24H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318584
(4-(6-Bromo-7-(4-(1-(pyridin-4-yl)ethyl)piperazin-1...)Show SMILES CC(N1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccncc1 Show InChI InChI=1S/C25H28BrN7/c1-17(18-8-10-27-11-9-18)32-12-14-33(15-13-32)23-21(26)16-28-25-22(23)29-24(30-25)19-4-6-20(7-5-19)31(2)3/h4-11,16-17H,12-15H2,1-3H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318570
(2-{4-[6-Bromo-2-(4-dimethylaminophenyl)-3H-imidazo...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C23H25BrN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318579
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)c2[nH]1 Show InChI InChI=1S/C26H27Cl2N7O/c1-33(2)20-8-6-17(7-9-20)25-31-23-24(21(28)15-29-26(23)32-25)35-12-10-34(11-13-35)16-22(36)30-19-5-3-4-18(27)14-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,30,36)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318585
(4-(6-chloro-7-(4-(1-phenylethyl)piperazin-1-yl)-3H...)Show SMILES CC(N1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccccc1 Show InChI InChI=1S/C26H29ClN6/c1-18(19-7-5-4-6-8-19)32-13-15-33(16-14-32)24-22(27)17-28-26-23(24)29-25(30-26)20-9-11-21(12-10-20)31(2)3/h4-12,17-18H,13-16H2,1-3H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335616
(4-((4-(6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4coc(n4)C(C)C)CC3)c2[nH]1 Show InChI InChI=1S/C24H27BrN6O2/c1-15(2)24-27-17(14-33-24)13-30-8-10-31(11-9-30)21-19(25)12-26-23-20(21)28-22(29-23)16-4-6-18(32-3)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318571
(2-[4-(6-Bromo-3H-imidazo[4,5-b]pyridin-7-yl)-piper...)Show InChI InChI=1S/C15H16BrN7OS/c16-10-7-18-14-12(19-9-20-14)13(10)23-4-2-22(3-5-23)8-11(24)21-15-17-1-6-25-15/h1,6-7,9H,2-5,8H2,(H,17,21,24)(H,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318573
(2-[4-(6-Bromo-2-phenyl-3H-imidazo[4,5-b]pyridin-7-...)Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccccc1 Show InChI InChI=1S/C21H20BrN7OS/c22-15-12-24-20-17(26-19(27-20)14-4-2-1-3-5-14)18(15)29-9-7-28(8-10-29)13-16(30)25-21-23-6-11-31-21/h1-6,11-12H,7-10,13H2,(H,23,25,30)(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318577
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1 Show InChI InChI=1S/C26H28ClN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318578
(2-(4-(6-Bromo-2-(4-(dimethylamino)phenyl)-3H-imida...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4cccnc4)CC3)c2[nH]1 Show InChI InChI=1S/C25H27BrN8O/c1-32(2)19-7-5-17(6-8-19)24-30-22-23(20(26)15-28-25(22)31-24)34-12-10-33(11-13-34)16-21(35)29-18-4-3-9-27-14-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,35)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318581
(4-(6-Bromo-7-(4-(phenylsulfonyl)piperazin-1-yl)-3H...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)S(=O)(=O)c3ccccc3)c2[nH]1 Show InChI InChI=1S/C24H25BrN6O2S/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)30-12-14-31(15-13-30)34(32,33)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318583
(4-(6-Bromo-7-(4-isobutylpiperazin-1-yl)-3H-imidazo...)Show SMILES CC(C)CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H29BrN6/c1-15(2)14-28-9-11-29(12-10-28)20-18(23)13-24-22-19(20)25-21(26-22)16-5-7-17(8-6-16)27(3)4/h5-8,13,15H,9-12,14H2,1-4H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224749
(4-(6,7-dichloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N...)Show InChI InChI=1S/C14H12Cl2N4/c1-20(2)9-5-3-8(4-6-9)13-18-12-11(16)10(15)7-17-14(12)19-13/h3-7H,1-2H3,(H,17,18,19) | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318582
(4-(6-Bromo-7-(4-phenylpiperazin-1-yl)-3H-imidazo[4...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)c3ccccc3)c2[nH]1 Show InChI InChI=1S/C24H25BrN6/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 258 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335614
(2-(4-(6-bromo-2-(4-(dimethylamino)phenyl)-3H-imida...)Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1 Show InChI InChI=1S/C26H28BrN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224745
(4-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dime...)Show InChI InChI=1S/C14H13BrN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224731
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50318593
(6-Bromo-7-(4-cyclopropylmethyl-piperazin-1-yl)-2-(...)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC4CC4)CC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O/c1-28-16-6-4-15(5-7-16)20-24-18-19(17(22)12-23-21(18)25-20)27-10-8-26(9-11-27)13-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224742
(2-(4-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b...)Show SMILES CN(C)c1ccc(cc1)-c1nc2nccc(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C23H26N8OS/c1-29(2)17-5-3-16(4-6-17)21-27-20-18(7-8-24-22(20)28-21)31-12-10-30(11-13-31)15-19(32)26-23-25-9-14-33-23/h3-9,14H,10-13,15H2,1-2H3,(H,24,27,28)(H,25,26,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224738
(4-(7-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)Show InChI InChI=1S/C14H13ClN4/c1-19(2)10-5-3-9(4-6-10)13-17-12-11(15)7-8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18) | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224740
(4-(3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenz...)Show InChI InChI=1S/C14H14N4/c1-18(2)11-7-5-10(6-8-11)13-16-12-4-3-9-15-14(12)17-13/h3-9H,1-2H3,(H,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335613
(2-(4-(pyridin-2-yl)phenyl)-3H-imidazo[4,5-b]pyridi...)Show InChI InChI=1S/C17H12N4/c1-2-10-18-14(4-1)12-6-8-13(9-7-12)16-20-15-5-3-11-19-17(15)21-16/h1-11H,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224736
(2-(4-(pyrrolidin-1-yl)phenyl)-3H-imidazo[4,5-b]pyr...)Show InChI InChI=1S/C16H16N4/c1-2-11-20(10-1)13-7-5-12(6-8-13)15-18-14-4-3-9-17-16(14)19-15/h3-9H,1-2,10-11H2,(H,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this
Ligand-Target Pair | |
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