Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50193025'   

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))	BDBM50193025 (CHEMBL3932938 | US11155556, No. 18) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)S(N)(=O)=O)nc12 Show InChI InChI=1S/C20H20N6O3S/c1-12-10-13(30(21,28)29)8-9-15(12)23-20-22-11-17-18(24-20)25(2)16-7-5-4-6-14(16)19(27)26(17)3/h4-11H,1-3H3,(H2,21,28,29)(H,22,23,24)	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	4.85E+3	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
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Aurora kinase A (Homo sapiens (Human))	BDBM50193025 (CHEMBL3932938 | US11155556, No. 18) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)S(N)(=O)=O)nc12 Show InChI InChI=1S/C20H20N6O3S/c1-12-10-13(30(21,28)29)8-9-15(12)23-20-22-11-17-18(24-20)25(2)16-7-5-4-6-14(16)19(27)26(17)3/h4-11H,1-3H3,(H2,21,28,29)(H,22,23,24)	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	4.90E+3	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