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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50356198'   
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))
BDBM50356198
PNG
(CHEMBL1910222)
Show SMILES COc1ccc(C=NNC(N)=S)cc1OCc1ccccc1 |w:7.7|
Show InChI InChI=1S/C16H17N3O2S/c1-20-14-8-7-13(10-18-19-16(17)22)9-15(14)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,17,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
191n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 46: 5473-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.009
BindingDB Entry DOI: 10.7270/Q2GM87QH
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50356198
PNG
(CHEMBL1910222)
Show SMILES COc1ccc(C=NNC(N)=S)cc1OCc1ccccc1 |w:7.7|
Show InChI InChI=1S/C16H17N3O2S/c1-20-14-8-7-13(10-18-19-16(17)22)9-15(14)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,17,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 46: 5473-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.009
BindingDB Entry DOI: 10.7270/Q2GM87QH
More data for this
Ligand-Target Pair