BDBM50106220 CHEMBL3598138

SMILES: FC(F)(F)c1ccc(NC(=O)Nc2cc3NC(=O)\C(=C/c4ccc[nH]4)c3cc2N2CCCC2)cc1

InChI Key: InChIKey=XTDQXKBBNGMXFC-UNOMPAQXSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106220   

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 B (Homo sapiens (Human))	BDBM50106220 (CHEMBL3598138) Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cc3NC(=O)\C(=C/c4ccc[nH]4)c3cc2N2CCCC2)cc1 Show InChI InChI=1S/C25H22F3N5O2/c26-25(27,28)15-5-7-16(8-6-15)30-24(35)32-21-14-20-18(13-22(21)33-10-1-2-11-33)19(23(34)31-20)12-17-4-3-9-29-17/h3-9,12-14,29H,1-2,10-11H2,(H,31,34)(H2,30,32,35)/b19-12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of aurora B kinase (unknown origin) using ATP and SB2 substrate incubated at 37 degC for 2 hrs by kinase-Glo reagent based luminescent kin...				Bioorg Med Chem Lett 25: 2937-42 (2015) BindingDB Entry DOI: 10.7270/Q2NK3GT2
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