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BDBM50386413 CHEMBL2047303

SMILES: C[C@@H](O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O

InChI Key: InChIKey=LEVHXXDWQIKTAK-TVVSKHENSA-N

Data: 1 KI  1 Kd

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 = 50386413   
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


(Pseudomonas aeruginosa)
BDBM50386413
PNG
(CHEMBL2047303)
Show SMILES C[C@@H](O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C11H20N2O6/c1-5(11(17)18)19-10-7(13-6(2)15)3-12-8(4-14)9(10)16/h5,7-10,12,14,16H,3-4H2,1-2H3,(H,13,15)(H,17,18)/t5-,7+,8-,9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by ...


ACS Med Chem Lett 3: 238-242 (2012)


Article DOI: 10.1021/ml2002746
BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
More data for this
Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B


(Escherichia coli (strain K12))
BDBM50386413
PNG
(CHEMBL2047303)
Show SMILES C[C@@H](O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C11H20N2O6/c1-5(11(17)18)19-10-7(13-6(2)15)3-12-8(4-14)9(10)16/h5,7-10,12,14,16H,3-4H2,1-2H3,(H,13,15)(H,17,18)/t5-,7+,8-,9-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.00E+6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...


ACS Med Chem Lett 3: 238-242 (2012)


Article DOI: 10.1021/ml2002746
BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
More data for this
Ligand-Target Pair