Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50045751 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)) | BDBM50079534
(CHEMBL3417325)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50079535
(CHEMBL3417327)Show SMILES COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C23H31FN6O2/c1-30-11-9-17(10-12-30)27-22(31)15-7-8-19(20(13-15)32-2)28-23-25-14-18(24)21(29-23)26-16-5-3-4-6-16/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3,(H,27,31)(H2,25,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50079535
(CHEMBL3417327)Show SMILES COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C23H31FN6O2/c1-30-11-9-17(10-12-30)27-22(31)15-7-8-19(20(13-15)32-2)28-23-25-14-18(24)21(29-23)26-16-5-3-4-6-16/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3,(H,27,31)(H2,25,26,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 395 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50079534
(CHEMBL3417325)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 453 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method |
Eur J Med Chem 95: 174-84 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.044
BindingDB Entry DOI: 10.7270/Q2R78GXS |
More data for this
Ligand-Target Pair | |
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