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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P0DM80   
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
Virulence sensor histidine kinase PhoQ


(Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)
BDBM50453878
PNG
(CHEMBL371380)
Show SMILES COc1ccc(cc1)-c1c(C)n[nH]c1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10-3-5-11(23-2)6-4-10)17(20-19-9)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.38E+5n/an/an/an/an/an/a



Williams College

Curated by ChEMBL


Assay Description
Inhibition of recombinant Salmonella typhimurium N-terminal His6-SUMO-tagged DHp-catalytic domain PhoQ (257 to 487 residues) autophosphorylation expr...


Bioorg Med Chem Lett 27: 5235-5244 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.036
BindingDB Entry DOI: 10.7270/Q20G3NQV
More data for this
Ligand-Target Pair
Virulence sensor histidine kinase PhoQ


(Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)
BDBM50453881
PNG
(CCT018159 | CHEBI:41656 | CHEMBL399530)
Show SMILES CCc1cc(-c2[nH]nc(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.61E+5n/an/an/an/an/an/a



Williams College

Curated by ChEMBL


Assay Description
Inhibition of recombinant Salmonella typhimurium N-terminal His6-SUMO-tagged DHp-catalytic domain PhoQ (257 to 487 residues) autophosphorylation expr...


Bioorg Med Chem Lett 27: 5235-5244 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.036
BindingDB Entry DOI: 10.7270/Q20G3NQV
More data for this
Ligand-Target Pair
Virulence sensor histidine kinase PhoQ


(Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)
BDBM15364
PNG
(4-chloro-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5...)
Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(10-2-3-15-16(6-10)25-5-4-24-15)18(21-20-9)11-7-12(19)14(23)8-13(11)22/h2-3,6-8,22-23H,4-5H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+5n/an/an/an/an/an/a



Williams College

Curated by ChEMBL


Assay Description
Inhibition of recombinant Salmonella typhimurium N-terminal His6-SUMO-tagged DHp-catalytic domain PhoQ (257 to 487 residues) autophosphorylation expr...


Bioorg Med Chem Lett 27: 5235-5244 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.036
BindingDB Entry DOI: 10.7270/Q20G3NQV
More data for this
Ligand-Target Pair