Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50330551'   

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))	BDBM50330551 (4-Phenyl-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2H...) Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |t:1| Show InChI InChI=1S/C20H17N5O3/c1-12-17(20(26)23-14-7-9-15(10-8-14)25(27)28)18(13-5-3-2-4-6-13)16-11-21-24-19(16)22-12/h2-11,17-18H,1H3,(H,21,24)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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