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Compile Data Set for Download or QSAR

Found 2 hits of kd 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...)
BDBM50453877
PNG
(CHEMBL4209514)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occ(Cl)c(=O)c2c1-[#8]
Show InChI InChI=1S/C14H13ClO4/c1-7(2)3-4-8-10(16)5-11-12(13(8)17)14(18)9(15)6-19-11/h3,5-6,16-17H,4H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.91E+5n/an/an/an/an/a



Williams College

Curated by ChEMBL


Assay Description
Displacement of TNP-ATP from recombinant Salmonella typhimurium GST-tagged DHp-catalytic domain PhoQ (332 to 487 residues) expressed in Escherichia c...


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...)
BDBM227589
PNG
(Radicicol)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9|
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 7.15E+5n/an/an/an/an/a



Williams College

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Salmonella typhimurium 15N-labeled PhoQ catalytic domain (332 to 487 residues) expressed in Escherichia coli XA90 ass...


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
3D
3D Structure (crystal)