Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50096228'   

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))	BDBM50096228 (CHEMBL3594175) Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r| Show InChI InChI=1S/C36H53N5O6/c1-5-14-26(42)15-8-7-9-17-28-34(44)38-29(21-25-22-41(47-4)30-18-11-10-16-27(25)30)35(45)39-33(24(3)6-2)32(43)23-40-20-13-12-19-31(40)36(46)37-28/h10-11,16,18,22,24,28-29,31,33H,5-9,12-15,17,19-21,23H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)/t24?,28-,29-,31+,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				ACS Med Chem Lett 6: 711-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00151 BindingDB Entry DOI: 10.7270/Q24J0GWT
					More data for this Ligand-Target Pair