Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50316489'   

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))	BDBM50316489 (CHEMBL1095989 | N-(4-{1-Ethyl-4-[2-({[3-(4-methyl-...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCCN3CCN(C)CC3)cc12 Show InChI InChI=1S/C34H41N9O/c1-3-43-24-31(32(40-43)25-10-12-27(13-11-25)39-34(44)38-26-8-5-4-6-9-26)29-14-16-36-33-30(29)22-28(37-33)23-35-15-7-17-42-20-18-41(2)19-21-42/h4-6,8-14,16,22,24,35H,3,7,15,17-21,23H2,1-2H3,(H,36,37)(H2,38,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.11E+3	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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