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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P84058   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1


(Staphylococcus aureus subsp. aureus N315)
BDBM50475596
PNG
(CHEMBL200015)
Show SMILES Cc1cc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1C(F)(F)F |c:8|
Show InChI InChI=1S/C25H15Cl2F3O3/c1-13-8-14(6-7-18(13)19-4-2-3-5-20(19)25(28,29)30)9-21-23(31)22(24(32)33-21)15-10-16(26)12-17(27)11-15/h2-12,32H,1H3/b21-9-
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 4.07E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MurA in Staphylococcus aureus


Bioorg Med Chem Lett 16: 176-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1


(Staphylococcus aureus subsp. aureus N315)
BDBM50274417
PNG
(CHEMBL4128170)
Show SMILES CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C |r,t:3,8,19|
Show InChI InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MurA assessed as reduction in [3H]GlcNAc uptake


Bioorg Med Chem 26: 3453-3460 (2018)


Article DOI: 10.1016/j.bmc.2018.05.017
BindingDB Entry DOI: 10.7270/Q2MW2KNG
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1


(Staphylococcus aureus subsp. aureus N315)
BDBM50274417
PNG
(CHEMBL4128170)
Show SMILES CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C |r,t:3,8,19|
Show InChI InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+5n/an/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Staphylococcus aureus MurA expressed in Escherichia coli BL21(DE3) cells preincubated with PEP and enzyme for 10 mins follow...


Bioorg Med Chem 26: 3453-3460 (2018)


Article DOI: 10.1016/j.bmc.2018.05.017
BindingDB Entry DOI: 10.7270/Q2MW2KNG
More data for this
Ligand-Target Pair