Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50330562'   

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))	BDBM50330562 (4-Phenyl-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-...) Show SMILES COc1ccc(NC(=O)C2C(c3cn[nH]c3N=C2C)c2ccccc2)cc1 |c:17| Show InChI InChI=1S/C21H20N4O2/c1-13-18(21(26)24-15-8-10-16(27-2)11-9-15)19(14-6-4-3-5-7-14)17-12-22-25-20(17)23-13/h3-12,18-19H,1-2H3,(H,22,25)(H,24,26)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human purified recombinant aurora-A kinase				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
					More data for this Ligand-Target Pair