Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM15991'   

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))	BDBM15991 (2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzoic ac...) Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C17H14N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h1-11H,(H,22,23)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79.4	n/a	n/a	n/a	n/a	7.4	25
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)...				US Patent US9249124 (2016) BindingDB Entry DOI: 10.7270/Q2J1020R
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM15991 (2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzoic ac...) Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C17H14N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h1-11H,(H,22,23)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center					Assay Description In vitro enzyme activity assay using Aurora Kinase A.				J Med Chem 55: 7392-416 (2012) Article DOI: 10.1021/jm300334d BindingDB Entry DOI: 10.7270/Q2V986NH
					More data for this Ligand-Target Pair