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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 = 'BDBM92271'   
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)
BDBM92271
PNG
(CS264)
Show SMILES CC1(CNC(=O)[C@H](CN)NC(=O)c2ccc(cc2)-c2ccccc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H23N5O4/c1-21(19(29)25-20(30)26-21)12-23-18(28)16(11-22)24-17(27)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11-12,22H2,1H3,(H,23,28)(H,24,27)(H2,25,26,29,30)/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)
BDBM92271
PNG
(CS264)
Show SMILES CC1(CNC(=O)[C@H](CN)NC(=O)c2ccc(cc2)-c2ccccc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H23N5O4/c1-21(19(29)25-20(30)26-21)12-23-18(28)16(11-22)24-17(27)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11-12,22H2,1H3,(H,23,28)(H,24,27)(H2,25,26,29,30)/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