BDBM50190643 CHEMBL3933402

SMILES: CCCCCCCCNC(=S)N1C[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@H]1CO

InChI Key: InChIKey=OGAPJXHWULCOJW-XUWVNRHRSA-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 = 50190643   

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))	BDBM50190643 (CHEMBL3933402) Show SMILES CCCCCCCCNC(=S)N1C[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C17H33N3O4S/c1-3-4-5-6-7-8-9-18-17(25)20-10-13(19-12(2)22)15(23)16(24)14(20)11-21/h13-16,21,23-24H,3-11H2,1-2H3,(H,18,25)(H,19,22)/t13-,14+,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Barcelona Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate a...				Eur J Med Chem 121: 926-938 (2016) BindingDB Entry DOI: 10.7270/Q2542QJ5
					More data for this Ligand-Target Pair