BDBM50363995 CHEMBL1950040

SMILES: [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

InChI Key: InChIKey=WUNXEXOIPMBFDW-MHJVTTCDSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50363995   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50363995 (CHEMBL1950040) Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C35H60N16O12S2/c1-16(52)26-33(63)51-10-4-7-22(51)32(62)47-19(6-3-9-43-35(40)41)30(60)46-18(5-2-8-42-34(38)39)31(61)49-21(29(59)44-12-23(37)53)15-65-64-14-17(36)27(57)48-20(11-25(55)56)28(58)45-13-24(54)50-26/h16-22,26,52H,2-15,36H2,1H3,(H2,37,53)(H,44,59)(H,45,58)(H,46,60)(H,47,62)(H,48,57)(H,49,61)(H,50,54)(H,55,56)(H4,38,39,42)(H4,40,41,43)/t16-,17+,18+,19+,20+,21+,22+,26+/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	9.10E+4	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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