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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50448177'   
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


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448177
PNG
(CHEMBL1576403)
Show SMILES Brc1cccc(NC(=S)Nc2ccccc2)c1
Show InChI InChI=1S/C13H11BrN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.56E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis


Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50448177
PNG
(CHEMBL1576403)
Show SMILES Brc1cccc(NC(=S)Nc2ccccc2)c1
Show InChI InChI=1S/C13H11BrN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.83E+4n/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by indophenol method


Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair