Found 5 hits for monomerid = 50277639 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277639
(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28) | 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
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50277639
(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of Aurora-B |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277639
(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of aurora A kinase |
J Med Chem 52: 2629-51 (2009)
Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50277639
(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of aurora B kinase |
J Med Chem 52: 2629-51 (2009)
Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920 |
More data for this Ligand-Target Pair | |
Bcr-Abl
(Homo sapiens (Human)) | BDBM50277639
(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 603 | n/a | n/a | n/a | n/a | n/a | n/a |
The First People's Hospital of Hangzhou
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL kinase (unknown origin) |
Bioorg Med Chem Lett 23: 2442-50 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.113 BindingDB Entry DOI: 10.7270/Q2ZG6TMD |
More data for this Ligand-Target Pair | |