BDBM50079534 CHEMBL3417325

SMILES: CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1

InChI Key: InChIKey=CERFFPJDBQMQTN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50079534   

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))	BDBM50079534 (CHEMBL3417325) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method				Eur J Med Chem 95: 174-84 (2015) Article DOI: 10.1016/j.ejmech.2015.03.044 BindingDB Entry DOI: 10.7270/Q2R78GXS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50079534 (CHEMBL3417325) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H29BrN6O/c1-29-12-10-18(11-13-29)26-21(30)15-6-8-17(9-7-15)27-22-24-14-19(23)20(28-22)25-16-4-2-3-5-16/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,26,30)(H2,24,25,27,28)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method				Eur J Med Chem 95: 174-84 (2015) Article DOI: 10.1016/j.ejmech.2015.03.044 BindingDB Entry DOI: 10.7270/Q2R78GXS
					More data for this Ligand-Target Pair