BDBM50251961 CHEMBL449217::N-hexyl-9H-purin-6-amine

SMILES: CCCCCCNc1ncnc2nc[nH]c12

InChI Key: InChIKey=SSVCRPKUKBLUMH-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 = 50251961   

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))	BDBM50251961 (CHEMBL449217 | N-hexyl-9H-purin-6-amine) Show SMILES CCCCCCNc1ncnc2nc[nH]c12 Show InChI InChI=1S/C11H17N5/c1-2-3-4-5-6-12-10-9-11(14-7-13-9)16-8-15-10/h7-8H,2-6H2,1H3,(H2,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A (unknown origin)				Bioorg Med Chem Lett 18: 3978-81 (2008) Article DOI: 10.1016/j.bmcl.2008.06.011 BindingDB Entry DOI: 10.7270/Q2T43SWR
					More data for this Ligand-Target Pair