Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50363996'   

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))	BDBM50363996 (CHEMBL1950041) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C34H51N13O13S2/c1-15(48)27-33(59)45-21(30(56)39-10-24(37)50)13-62-61-12-17(35)28(54)44-20(7-16-9-38-14-41-16)34(60)47-6-2-3-22(47)32(58)43-18(4-5-23(36)49)29(55)40-11-25(51)42-19(8-26(52)53)31(57)46-27/h9,14-15,17-22,27,48H,2-8,10-13,35H2,1H3,(H2,36,49)(H2,37,50)(H,38,41)(H,39,56)(H,40,55)(H,42,51)(H,43,58)(H,44,54)(H,45,59)(H,46,57)(H,52,53)/t15-,17+,18+,19+,20+,21+,22+,27+/m1/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	n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting				Bioorg Med Chem 19: 6743-9 (2011) Article DOI: 10.1016/j.bmc.2011.09.049 BindingDB Entry DOI: 10.7270/Q2VD6ZXG
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