BDBM50381994 CHEMBL2023295

SMILES: Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccc(F)cc2)c1

InChI Key: InChIKey=PDBLNPBHCGQRPM-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50381994   

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))	BDBM50381994 (CHEMBL2023295) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccc(F)cc2)c1 Show InChI InChI=1S/C28H30FN9OS/c1-19-15-38-24(21-13-32-37(16-21)18-25(39)30-12-20-5-7-22(29)8-6-20)14-31-28(38)27(33-19)34-26-11-23(35-40-26)17-36-9-3-2-4-10-36/h5-8,11,13-16H,2-4,9-10,12,17-18H2,1H3,(H,30,39)(H,33,34)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50381994 (CHEMBL2023295) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccc(F)cc2)c1 Show InChI InChI=1S/C28H30FN9OS/c1-19-15-38-24(21-13-32-37(16-21)18-25(39)30-12-20-5-7-22(29)8-6-20)14-31-28(38)27(33-19)34-26-11-23(35-40-26)17-36-9-3-2-4-10-36/h5-8,11,13-16H,2-4,9-10,12,17-18H2,1H3,(H,30,39)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	416	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair