BDBM50348630 CHEMBL1801108

SMILES: CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)cc1

InChI Key: InChIKey=LNJWPNHPUQNKQN-UHFFFAOYSA-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 = 50348630   

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))	BDBM50348630 (CHEMBL1801108) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)cc1 Show InChI InChI=1S/C18H19N7O2S/c1-23(2)28(26,27)15-6-4-14(5-7-15)22-17-18-20-11-16(25(18)9-8-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
					More data for this Ligand-Target Pair