BDBM50513932 CHEMBL4541985

SMILES: [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC(C)C1

InChI Key: InChIKey=PQTCEDXTCZZYGK-VVULQXIFSA-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 = 50513932   

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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human))	BDBM50513932 (CHEMBL4541985) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC(C)C1 |r,c:13| Show InChI InChI=1S/C11H18N2O4S/c1-5-2-13(3-5)11-12-7-9(16)8(15)6(4-14)17-10(7)18-11/h5-10,14-16H,2-4H2,1H3/t6-,7-,8-,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	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 recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50513932 (CHEMBL4541985) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC(C)C1 |r,c:13| Show InChI InChI=1S/C11H18N2O4S/c1-5-2-13(3-5)11-12-7-9(16)8(15)6(4-14)17-10(7)18-11/h5-10,14-16H,2-4H2,1H3/t6-,7-,8-,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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 N-acetyl-beta-D-glucosaminide dihydrate as substra...				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090
					More data for this Ligand-Target Pair