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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50534772   
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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50534772
PNG
(CHEMBL4563580)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6](=O)-[#8]-[#6])-n1[se;v2]c2ccccc2c1=O |r|
Show InChI InChI=1S/C14H17NO3Se/c1-4-9(2)12(14(17)18-3)15-13(16)10-7-5-6-8-11(10)19-15/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1
PDB

UniProtKB/SwissProt

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



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as substrate preincubated for 2 hrs followed by substrate addition measu...


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
BindingDB Entry DOI: 10.7270/Q2FR0130
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50534772
PNG
(CHEMBL4563580)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6](=O)-[#8]-[#6])-n1[se;v2]c2ccccc2c1=O |r|
Show InChI InChI=1S/C14H17NO3Se/c1-4-9(2)12(14(17)18-3)15-13(16)10-7-5-6-8-11(10)19-15/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.58E+4n/an/an/an/an/an/a



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell u...


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
BindingDB Entry DOI: 10.7270/Q2FR0130
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50534772
PNG
(CHEMBL4563580)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6](=O)-[#8]-[#6])-n1[se;v2]c2ccccc2c1=O |r|
Show InChI InChI=1S/C14H17NO3Se/c1-4-9(2)12(14(17)18-3)15-13(16)10-7-5-6-8-11(10)19-15/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.60E+4n/an/an/an/an/an/a



Wroc?aw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell u...


J Med Chem 59: 8125-33 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00986
BindingDB Entry DOI: 10.7270/Q2FR0130
More data for this
Ligand-Target Pair