Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50193016'   

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))	BDBM50193016 (CHEMBL3889977 | US11155556, No. 3) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)nc12 Show InChI InChI=1S/C28H31N7O4S/c1-5-25(36)30-19-11-13-35(14-12-19)40(38,39)21-8-6-7-20(16-21)31-28-29-17-24-26(32-28)33(3)23-10-9-18(2)15-22(23)27(37)34(24)4/h5-10,15-17,19H,1,11-14H2,2-4H3,(H,30,36)(H,29,31,32)	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	350	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
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Aurora kinase A (Homo sapiens (Human))	BDBM50193016 (CHEMBL3889977 | US11155556, No. 3) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)nc12 Show InChI InChI=1S/C28H31N7O4S/c1-5-25(36)30-19-11-13-35(14-12-19)40(38,39)21-8-6-7-20(16-21)31-28-29-17-24-26(32-28)33(3)23-10-9-18(2)15-22(23)27(37)34(24)4/h5-10,15-17,19H,1,11-14H2,2-4H3,(H,30,36)(H,29,31,32)	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	355	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