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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'UDP-3-O-acyl-N-acetylglucosamine deacetylase' and Ligand = 'BDBM92279'   
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


(Aquifex aeolicus)
BDBM92279
PNG
(CS272)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1 |c:7|
Show InChI InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 2.25E+3n/an/an/a7.025



CSAR



Assay Description
ITC


CSAR 1: (2012)

More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)
BDBM92279
PNG
(CS272)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1 |c:7|
Show InChI InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

D3R
n/an/an/a 1.50E+3n/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)
BDBM92279
PNG
(CS272)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1 |c:7|
Show InChI InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 2.50E+3n/an/an/a7.025



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)

More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Aquifex aeolicus)
BDBM92279
PNG
(CS272)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1cc2cc(F)ccc2[nH]1 |c:7|
Show InChI InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 772n/an/an/a7.025



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair