BDBM68271 M-31850

SMILES: CCCNCCN1C(=O)c2cccc3cccc(C1=O)c23

InChI Key: InChIKey=GPFPDZQUCVOJMR-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 = 68271   

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
Beta-hexosaminidase subunit alpha (HexA) (Homo sapiens (Human))	BDBM68271 (M-31850) Show SMILES CCCNCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C17H18N2O2/c1-2-9-18-10-11-19-16(20)13-7-3-5-12-6-4-8-14(15(12)13)17(19)21/h3-8,18H,2,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	25
Research Institute, Hospital for Sick Children					Assay Description Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.				Chem Biol 14: 153-64 (2007) Article DOI: 10.1016/j.chembiol.2006.12.006 BindingDB Entry DOI: 10.7270/Q25B00W8
					More data for this Ligand-Target Pair