BDBM50287006 Azepane-3,4,5,6-tetraol::CHEMBL13922

SMILES: O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=MRFFNLOQLBWKPJ-UNTFVMJOSA-N

Data: 4 KI

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50287006   

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-galactosidase (Aspergillus niger)	BDBM50287006 (Azepane-3,4,5,6-tetraol | CHEMBL13922) Show SMILES O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of beta-galactosidase from aspergillus niger.				Bioorg Med Chem Lett 6: 1117-1122 (1996) Article DOI: 10.1016/0960-894X(96)00183-7 BindingDB Entry DOI: 10.7270/Q2M32VQR
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50287006 (Azepane-3,4,5,6-tetraol | CHEMBL13922) Show SMILES O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of beta-glucosidase from sweet almonds.				Bioorg Med Chem Lett 6: 1117-1122 (1996) Article DOI: 10.1016/0960-894X(96)00183-7 BindingDB Entry DOI: 10.7270/Q2M32VQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-glucosidase A (α-Gal A) (Homo sapiens (Human))	BDBM50287006 (Azepane-3,4,5,6-tetraol | CHEMBL13922) Show SMILES O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of alpha-galactosidase from green coffee beans.				Bioorg Med Chem Lett 6: 1117-1122 (1996) Article DOI: 10.1016/0960-894X(96)00183-7 BindingDB Entry DOI: 10.7270/Q2M32VQR
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50287006 (Azepane-3,4,5,6-tetraol | CHEMBL13922) Show SMILES O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of alpha-glucosidase from yeast.				Bioorg Med Chem Lett 6: 1117-1122 (1996) Article DOI: 10.1016/0960-894X(96)00183-7 BindingDB Entry DOI: 10.7270/Q2M32VQR
					More data for this Ligand-Target Pair