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BDBM50534773 CHEMBL4524305

SMILES: [#6]-[#6@H](-c1ccccc1)-n1[se;v2]c2ccccc2c1=O

InChI Key: InChIKey=WXLUUJBDZZEORE-LLVKDONJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50534773   
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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50534773
PNG
(CHEMBL4524305)
Show SMILES [#6]-[#6@H](-c1ccccc1)-n1[se;v2]c2ccccc2c1=O |r|
Show InChI InChI=1S/C15H13NOSe/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18-16/h2-11H,1H3/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.04E+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
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50534773
PNG
(CHEMBL4524305)
Show SMILES [#6]-[#6@H](-c1ccccc1)-n1[se;v2]c2ccccc2c1=O |r|
Show InChI InChI=1S/C15H13NOSe/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18-16/h2-11H,1H3/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.53E+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
More data for this
Ligand-Target Pair