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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'UDP-3-O-acyl-N-acetylglucosamine deacetylase' and Ligand = 'BDBM81707'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)
BDBM81707
PNG
(CS273 | LpxC Inhibitor, L8)
Show SMILES CN(C)c1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |r,t:10|
Show InChI InChI=1S/C12H15N3O3/c1-15(2)9-5-3-8(4-6-9)12-13-10(7-18-12)11(16)14-17/h3-6,10,17H,7H2,1-2H3,(H,14,16)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research



Assay Description
The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.


Chem Biol Drug Des 71: 45-56 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00608.x
BindingDB Entry DOI: 10.7270/Q2K64GJF
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)
BDBM81707
PNG
(CS273 | LpxC Inhibitor, L8)
Show SMILES CN(C)c1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |r,t:10|
Show InChI InChI=1S/C12H15N3O3/c1-15(2)9-5-3-8(4-6-9)12-13-10(7-18-12)11(16)14-17/h3-6,10,17H,7H2,1-2H3,(H,14,16)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

D3R
n/an/an/a>1.00E+5n/an/an/an/an/a



D3R



Assay Description
Thermofluor_Method1


D3R 224: (2015)


BindingDB Entry DOI: 10.7270/Q2HM57BR
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Aquifex aeolicus)
BDBM81707
PNG
(CS273 | LpxC Inhibitor, L8)
Show SMILES CN(C)c1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |r,t:10|
Show InChI InChI=1S/C12H15N3O3/c1-15(2)9-5-3-8(4-6-9)12-13-10(7-18-12)11(16)14-17/h3-6,10,17H,7H2,1-2H3,(H,14,16)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.025



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)

More data for this
Ligand-Target Pair