BDBM50089683 CHEMBL3577324

SMILES: CCc1nc(N)nc(N)c1-c1cc(C)cc(C)c1

InChI Key: InChIKey=MGGDEPLAHKTDIV-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 = 50089683   

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))	BDBM50089683 (CHEMBL3577324) Show SMILES CCc1nc(N)nc(N)c1-c1cc(C)cc(C)c1 Show InChI InChI=1S/C14H18N4/c1-4-11-12(13(15)18-14(16)17-11)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair