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PubMed code 20222765

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM233115
PNG
(Tetracosyl 3-(3,4-dihydroxyphenyl) acrylate (2))
Show SMILES CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C33H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-37-33(36)27-25-30-24-26-31(34)32(35)29-30/h24-27,29,34-35H,2-23,28H2,1H3/b27-25+
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UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/a6.830



University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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KEGG
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PC cid
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PDB
UniChem

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Article
PubMed
n/an/a 2.10E+4n/an/an/an/a6.830



University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM174833
PNG
(3,4,5-Trihydroxy xanthone (1) | US9114126, MB5)
Show SMILES Oc1ccc2c(oc3c(O)cccc3c2=O)c1O
Show InChI InChI=1S/C13H8O5/c14-8-5-4-7-10(16)6-2-1-3-9(15)12(6)18-13(7)11(8)17/h1-5,14-15,17H
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Article
PubMed
n/an/a 3.80E+4n/an/an/an/a6.830



University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50155446
PNG
(1,3,7-Trihydroxy xanthone (3) | 1,3,7-Trihydroxy-x...)
Show SMILES Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Show InChI InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
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CHEMBL
KEGG
PC cid
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UniChem

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Article
PubMed
n/an/a 1.38E+5n/an/an/an/a6.830



University of Peshawar



Assay Description
Reaction mixtures comprising 25 μL of enzyme (jack bean urease) solution and 55 μL of buffer containing 100 mM urea were incubated with 5 &...


J Enzyme Inhib Med Chem 25: 296-9 (2010)


Article DOI: 10.3109/14756360903179385
BindingDB Entry DOI: 10.7270/Q2TB15TQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%