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BDBM40765 Iminocyclitol, 8

SMILES: CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O

InChI Key: InChIKey=DIPIADPYUMSRTE-XZLSUNLFNA-M

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 40765   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM40765
PNG
(Iminocyclitol, 8)
Show SMILES CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1/C7H14N2O7S/c1-3(10)8-6-4(11)5(12)7(9(6)2)16-17(13,14)15/h4-7,11-12H,1-2H3,(H,8,10)(H,13,14,15)/p-1/t4-,5-,6-,7+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40765
PNG
(Iminocyclitol, 8)
Show SMILES CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1/C7H14N2O7S/c1-3(10)8-6-4(11)5(12)7(9(6)2)16-17(13,14)15/h4-7,11-12H,1-2H3,(H,8,10)(H,13,14,15)/p-1/t4-,5-,6-,7+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair