Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50096236'   

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))	BDBM50096236 (CHEMBL3594174) Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@@H]2CCN(C)C2=O)n1 |r| Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)29(40)23-19-34-24-15-10-9-14-22(23)24/h9-10,14-15,19-20,25-28,34H,4-8,11-13,16-18H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t20?,25-,26+,27-,28-/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