BDBM50377445 CHEMBL403756

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

InChI Key: InChIKey=DRHXTSWSUAJOJZ-JAJWTYFOSA-N

Data: 2 KI

PDB links: 2 PDB IDs match this monomer.

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 = 50377445   

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
B-N-acetylhexosaminidase (Streptomyces plicatus)	BDBM50377445 (CHEMBL403756) Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@H](O)[C@@H]2O)S1 |t:1| Show InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+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 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
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50377445 (CHEMBL403756) Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@H](O)[C@@H]2O)S1 |t:1| Show InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.20E+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
					More data for this Ligand-Target Pair