Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50316482'   

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))	BDBM50316482 (4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phen...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCCN1CCN(C)CC1 Show InChI InChI=1S/C34H39N9O2/c1-3-43-23-29(31(40-43)24-10-12-26(13-11-24)38-34(45)37-25-8-5-4-6-9-25)27-14-16-35-32-28(27)22-30(39-32)33(44)36-15-7-17-42-20-18-41(2)19-21-42/h4-6,8-14,16,22-23H,3,7,15,17-21H2,1-2H3,(H,35,39)(H,36,44)(H2,37,38,45)	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	228	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora A				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
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