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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'UDP-3-O-acyl-N-acetylglucosamine deacetylase' and Ligand = 'BDBM50074951'   
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


(Escherichia coli)
BDBM50074951
PNG
((R)-2-(4-Ethyl-phenyl)-4,5-dihydro-oxazole-4-carbo...)
Show SMILES CCc1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |t:9|
Show InChI InChI=1S/C12H14N2O3/c1-2-8-3-5-9(6-4-8)12-13-10(7-17-12)11(15)14-16/h3-6,10,16H,2,7H2,1H3,(H,14,15)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using coupled radiochemical assay (WAVE) in E. coli strain JB 1104


Bioorg Med Chem Lett 9: 313-8 (1999)


BindingDB Entry DOI: 10.7270/Q2CJ8CNN
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50074951
PNG
((R)-2-(4-Ethyl-phenyl)-4,5-dihydro-oxazole-4-carbo...)
Show SMILES CCc1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |t:9|
Show InChI InChI=1S/C12H14N2O3/c1-2-8-3-5-9(6-4-8)12-13-10(7-17-12)11(15)14-16/h3-6,10,16H,2,7H2,1H3,(H,14,15)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using direct deacetylase assay (DEACET) in E. coli strain JB 1104


Bioorg Med Chem Lett 9: 313-8 (1999)


BindingDB Entry DOI: 10.7270/Q2CJ8CNN
More data for this
Ligand-Target Pair