Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50043079 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
(Homo sapiens (Human)) | BDBM50241089
(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(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
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| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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
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| PDB
Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase C
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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
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| PDB
Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora C (unknown origin) |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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
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| PDB
Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50241089
(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(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
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| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
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
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435694
(CHEMBL2392111)Show SMILES CS(=O)(=O)c1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8O3S/c1-33(30,31)20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-32-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435693
(CHEMBL2392112)Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O Show InChI InChI=1S/C16H14ClN7O2S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)27(2,25)26/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM27087
(3-cyclopropyl-1-{3-[5-(morpholin-4-ylmethyl)-1H-1,...)Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[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
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| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM27087
(3-cyclopropyl-1-{3-[5-(morpholin-4-ylmethyl)-1H-1,...)Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[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
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| PDB
Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435694
(CHEMBL2392111)Show SMILES CS(=O)(=O)c1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8O3S/c1-33(30,31)20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-32-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
MMDB
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| 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 |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435693
(CHEMBL2392112)Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O Show InChI InChI=1S/C16H14ClN7O2S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)27(2,25)26/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435703
(CHEMBL2392101)Show SMILES Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8O/c1-12-23-17(21)9-18(24-12)25-16-10-22-28-19(16)20-26-14-3-2-13(8-15(14)27-20)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,26,27)(H,23,24,25) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435702
(CHEMBL2392102)Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8OS/c1-31-20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
MMDB
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Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435692
(CHEMBL2392113)Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O Show InChI InChI=1S/C20H23ClN8O2S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)32(3,30)31/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435696
(CHEMBL2392109)Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(SC)n1 Show InChI InChI=1S/C20H23ClN8S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)30-3/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435699
(CHEMBL2392105)Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1 Show InChI InChI=1S/C16H14ClN7/c1-8-3-4-10-11(5-8)23-16(22-10)15-12(7-18-24-15)21-14-6-13(17)19-9(2)20-14/h3-7H,1-2H3,(H,18,24)(H,22,23)(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435703
(CHEMBL2392101)Show SMILES Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8O/c1-12-23-17(21)9-18(24-12)25-16-10-22-28-19(16)20-26-14-3-2-13(8-15(14)27-20)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,26,27)(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435696
(CHEMBL2392109)Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(SC)n1 Show InChI InChI=1S/C20H23ClN8S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)30-3/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435700
(CHEMBL2392104)Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C30H30ClN9OS/c31-25-15-26(38-30(37-25)42-21-9-7-20(8-10-21)33-29(41)19-5-6-19)34-24-16-32-39-27(24)28-35-22-11-4-18(14-23(22)36-28)17-40-12-2-1-3-13-40/h4,7-11,14-16,19H,1-3,5-6,12-13,17H2,(H,32,39)(H,33,41)(H,35,36)(H,34,37,38) | 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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435699
(CHEMBL2392105)Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1 Show InChI InChI=1S/C16H14ClN7/c1-8-3-4-10-11(5-8)23-16(22-10)15-12(7-18-24-15)21-14-6-13(17)19-9(2)20-14/h3-7H,1-2H3,(H,18,24)(H,22,23)(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435702
(CHEMBL2392102)Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8OS/c1-31-20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435700
(CHEMBL2392104)Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C30H30ClN9OS/c31-25-15-26(38-30(37-25)42-21-9-7-20(8-10-21)33-29(41)19-5-6-19)34-24-16-32-39-27(24)28-35-22-11-4-18(14-23(22)36-28)17-40-12-2-1-3-13-40/h4,7-11,14-16,19H,1-3,5-6,12-13,17H2,(H,32,39)(H,33,41)(H,35,36)(H,34,37,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435701
(CHEMBL2392103)Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C29H28ClN9O2S/c30-24-14-25(37-29(36-24)42-20-6-4-19(5-7-20)32-28(40)18-2-3-18)33-23-15-31-38-26(23)27-34-21-8-1-17(13-22(21)35-27)16-39-9-11-41-12-10-39/h1,4-8,13-15,18H,2-3,9-12,16H2,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37) | 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 | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435698
(CHEMBL2392106)Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(C)cc3[nH]2)n1 Show InChI InChI=1S/C16H14ClN7S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)25-2/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435695
(CHEMBL2392110)Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C29H30ClN9OS/c1-3-39(4-2)16-17-5-12-21-22(13-17)35-27(34-21)26-23(15-31-38-26)33-25-14-24(30)36-29(37-25)41-20-10-8-19(9-11-20)32-28(40)18-6-7-18/h5,8-15,18H,3-4,6-7,16H2,1-2H3,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37) | 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 | 249 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435698
(CHEMBL2392106)Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(C)cc3[nH]2)n1 Show InChI InChI=1S/C16H14ClN7S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)25-2/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23) | 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 | 321 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435692
(CHEMBL2392113)Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O Show InChI InChI=1S/C20H23ClN8O2S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)32(3,30)31/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 392 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435701
(CHEMBL2392103)Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C29H28ClN9O2S/c30-24-14-25(37-29(36-24)42-20-6-4-19(5-7-20)32-28(40)18-2-3-18)33-23-15-31-38-26(23)27-34-21-8-1-17(13-22(21)35-27)16-39-9-11-41-12-10-39/h1,4-8,13-15,18H,2-3,9-12,16H2,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 412 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435695
(CHEMBL2392110)Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C29H30ClN9OS/c1-3-39(4-2)16-17-5-12-21-22(13-17)35-27(34-21)26-23(15-31-38-26)33-25-14-24(30)36-29(37-25)41-20-10-8-19(9-11-20)32-28(40)18-6-7-18/h5,8-15,18H,3-4,6-7,16H2,1-2H3,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 424 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50435704
(CHEMBL2392107)Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C25H21ClN8OS/c1-13-2-9-17-18(10-13)31-23(30-17)22-19(12-27-34-22)29-21-11-20(26)32-25(33-21)36-16-7-5-15(6-8-16)28-24(35)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,27,34)(H,28,35)(H,30,31)(H,29,32,33) | 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 | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50435697
(CHEMBL2392108)Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1 Show InChI InChI=1S/C20H23ClN8/c1-4-29(5-2)11-13-6-7-14-15(8-13)27-20(26-14)19-16(10-22-28-19)25-18-9-17(21)23-12(3)24-18/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,26,27)(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of aurora B (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 23: 3523-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1 |
More data for this
Ligand-Target Pair | |
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