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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 = 'BDBM92274'   
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)
BDBM92274
PNG
(CS267)
Show SMILES CC1(CNC(=O)[C@H](CN)NC(=O)c2ccc(cc2)-c2ccc(Br)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H22BrN5O4/c1-21(19(30)26-20(31)27-21)11-24-18(29)16(10-23)25-17(28)14-4-2-12(3-5-14)13-6-8-15(22)9-7-13/h2-9,16H,10-11,23H2,1H3,(H,24,29)(H,25,28)(H2,26,27,30,31)/t16-,21?/m0/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)
BDBM92274
PNG
(CS267)
Show SMILES CC1(CNC(=O)[C@H](CN)NC(=O)c2ccc(cc2)-c2ccc(Br)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H22BrN5O4/c1-21(19(30)26-20(31)27-21)11-24-18(29)16(10-23)25-17(28)14-4-2-12(3-5-14)13-6-8-15(22)9-7-13/h2-9,16H,10-11,23H2,1H3,(H,24,29)(H,25,28)(H2,26,27,30,31)/t16-,21?/m0/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