BindingDB PrimarySearch

BDBM50327038 (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol::(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydropyrano[3,2-d]thiazole-6,7-diol::3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL::CHEMBL257158::N-acetylglucosamine thiazoline

SMILES: CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1

InChI Key: InChIKey=DRHXTSWSUAJOJZ-FMDGEEDCSA-N

Data: 8 KI

PDB links: 17 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50327038
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Daegu University Curated by ChEMBL					Assay Description Inhibition of human O-GlcNAcase after 5 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 7058-64 (2010) Article DOI: 10.1016/j.bmc.2010.08.010 BindingDB Entry DOI: 10.7270/Q25D8S2R
Daegu University Curated by ChEMBL					More data for this Ligand-Target Pair
B-N-acetylhexosaminidase (Streptomyces plicatus)	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New Jersey Curated by ChEMBL					Assay Description Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase				Bioorg Med Chem Lett 18: 2944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.03.067 BindingDB Entry DOI: 10.7270/Q2GH9JVC
The State University of New Jersey Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New Jersey Curated by ChEMBL					Assay Description Inhibition of human beta hexosaminidase				Bioorg Med Chem Lett 18: 2944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.03.067 BindingDB Entry DOI: 10.7270/Q2GH9JVC
The State University of New Jersey Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Agricultural University Curated by ChEMBL					Assay Description Inhibition of human HexB				ACS Med Chem Lett 9: 1241-1246 (2018) Article DOI: 10.1021/acsmedchemlett.8b00406
China Agricultural University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Competitive inhibition of human beta-N-acetyl-D-hexosaminidase-B using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate assessed as re...				ACS Med Chem Lett 4: 527-31 (2013) Article DOI: 10.1021/ml300475m BindingDB Entry DOI: 10.7270/Q2HX1GMT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-hexosaminidase subunit alpha (HexA) (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Competitive inhibition of human beta-N-acetyl-D-hexosaminidase-A using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate assessed as re...				ACS Med Chem Lett 4: 527-31 (2013) Article DOI: 10.1021/ml300475m BindingDB Entry DOI: 10.7270/Q2HX1GMT
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Agricultural University Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using varying levels of pNP-beta-GlcNAc as substrate by Lineweaver-burk ...				ACS Med Chem Lett 9: 1241-1246 (2018) Article DOI: 10.1021/acsmedchemlett.8b00406
China Agricultural University Curated by ChEMBL					More data for this Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New Jersey Curated by ChEMBL					Assay Description Inhibition of human OGA				Bioorg Med Chem Lett 18: 2944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.03.067 BindingDB Entry DOI: 10.7270/Q2GH9JVC
The State University of New Jersey Curated by ChEMBL					More data for this Ligand-Target Pair