BDBM50251910 3-(7-(6-aminopyrimidin-4-ylamino)heptanamido)-N-butylbenzamide::CHEMBL481522

SMILES: CCCCNC(=O)c1cccc(NC(=O)CCCCCCNc2cc(N)ncn2)c1

InChI Key: InChIKey=QZGYUGUJRPAOKU-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 = 50251910   

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))	BDBM50251910 (3-(7-(6-aminopyrimidin-4-ylamino)heptanamido)-N-bu...) Show SMILES CCCCNC(=O)c1cccc(NC(=O)CCCCCCNc2cc(N)ncn2)c1 Show InChI InChI=1S/C22H32N6O2/c1-2-3-12-25-22(30)17-9-8-10-18(14-17)28-21(29)11-6-4-5-7-13-24-20-15-19(23)26-16-27-20/h8-10,14-16H,2-7,11-13H2,1H3,(H,25,30)(H,28,29)(H3,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	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