BDBM50513954 CHEMBL4527453

SMILES: [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2

InChI Key: InChIKey=RPZPRSQYGSVMTF-NYMZXIIRSA-N

Data: 2 KI

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 2 hits for monomerid = 50513954   

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 beta (Hex B) (Homo sapiens (Human))	BDBM50513954 (CHEMBL4527453) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H14N2O4S/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as subs...				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090
					More data for this Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human))	BDBM50513954 (CHEMBL4527453) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H14N2O4S/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human OGA assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as substrate incubated ...				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090
					More data for this Ligand-Target Pair