Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50193020'   

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))	BDBM50193020 (CHEMBL3907932 | US11155556, No. 7) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3cccc(NC(=O)C=C)c3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-8-6-10-21(15-19)34-41(39,40)22-11-7-9-20(16-22)32-29-30-17-25-27(33-29)35(3)24-13-12-18(2)14-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activities against PI3K-α, PI3K-β, PI3K-γ and PI3K-δ were tested in ADAPTA assays. Activity against AURKB and AURKB...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868G7
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50193020 (CHEMBL3907932 | US11155556, No. 7) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3cccc(NC(=O)C=C)c3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-8-6-10-21(15-19)34-41(39,40)22-11-7-9-20(16-22)32-29-30-17-25-27(33-29)35(3)24-13-12-18(2)14-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay				ACS Med Chem Lett 7: 908-912 (2016) Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0
					More data for this Ligand-Target Pair