BDBM50277640 CHEMBL485351::N-(4-(4-(4-ethylpiperazin-1-yl)-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylthio)phenyl)propionamide
SMILES: CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)CC)cc2)n1
InChI Key: InChIKey=SUIPNNKRHBDYHW-UHFFFAOYSA-N
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)) | BDBM50277640 (CHEMBL485351 | N-(4-(4-(4-ethylpiperazin-1-yl)-6-(...) | 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 | 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 | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50277640 (CHEMBL485351 | N-(4-(4-(4-ethylpiperazin-1-yl)-6-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 25 | 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 B (Homo sapiens (Human)) | BDBM50277640 (CHEMBL485351 | N-(4-(4-(4-ethylpiperazin-1-yl)-6-(...) | 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 | 25 | 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 |