Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50053262'   

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))	BDBM50053262 (CHEMBL3322935) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1 Show InChI InChI=1S/C25H22N4O6/c1-33-19-10-16(11-20(13-19)34-2)22-14-29(28-27-22)18-7-8-23(30)21(12-18)24(31)26-17-6-4-5-15(9-17)25(32)35-3/h4-14,30H,1-3H3,(H,26,31)	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	370	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs				Bioorg Med Chem 22: 4855-66 (2014) Article DOI: 10.1016/j.bmc.2014.06.047 BindingDB Entry DOI: 10.7270/Q2PV6N11
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Aurora kinase A (Homo sapiens (Human))	BDBM50053262 (CHEMBL3322935) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1 Show InChI InChI=1S/C25H22N4O6/c1-33-19-10-16(11-20(13-19)34-2)22-14-29(28-27-22)18-7-8-23(30)21(12-18)24(31)26-17-6-4-5-15(9-17)25(32)35-3/h4-14,30H,1-3H3,(H,26,31)	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	768	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair