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PubMed code 20235688

Compile data set for download or QSAR
Found 7 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))
BDBM233143
PNG
(5-(Hydroxybenzyl)-2-(4-methylphenyl)amino-1,3,4-ox...)
Show SMILES Cc1ccc(Nc2nnc(o2)C(O)c2ccccc2)cc1
Show InChI InChI=1S/C16H15N3O2/c1-11-7-9-13(10-8-11)17-16-19-18-15(21-16)14(20)12-5-3-2-4-6-12/h2-10,14,20H,1H3,(H,17,19)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.61E+4n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...


J Enzyme Inhib Med Chem 25: 572-6 (2010)


Article DOI: 10.3109/14756360903389864
BindingDB Entry DOI: 10.7270/Q25H7F5M
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM233147
PNG
(5-(Hydroxybenzyl)-4-(4-methylphenyl)-2H-1,2,4-tria...)
Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)C(O)c1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-11-7-9-13(10-8-11)19-15(17-18-16(19)21)14(20)12-5-3-2-4-6-12/h2-10,14,20H,1H3,(H,18,21)
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UniChem
Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...


J Enzyme Inhib Med Chem 25: 572-6 (2010)


Article DOI: 10.3109/14756360903389864
BindingDB Entry DOI: 10.7270/Q25H7F5M
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM233146
PNG
(5-(Hydroxybenzyl)-4-(4-chlorophenyl)-2H-1,2,4-tria...)
Show SMILES OC(c1n[nH]c(=S)n1-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C15H12ClN3OS/c16-11-6-8-12(9-7-11)19-14(17-18-15(19)21)13(20)10-4-2-1-3-5-10/h1-9,13,20H,(H,18,21)
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UniChem
Article
PubMed
n/an/a 1.89E+4n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...


J Enzyme Inhib Med Chem 25: 572-6 (2010)


Article DOI: 10.3109/14756360903389864
BindingDB Entry DOI: 10.7270/Q25H7F5M
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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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...


J Enzyme Inhib Med Chem 25: 572-6 (2010)


Article DOI: 10.3109/14756360903389864
BindingDB Entry DOI: 10.7270/Q25H7F5M
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM233145
PNG
(5-(Hydroxybenzyl)-4-(4-bromophenyl)-2H-1,2,4-triaz...)
Show SMILES OC(c1n[nH]c(=S)n1-c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C15H12BrN3OS/c16-11-6-8-12(9-7-11)19-14(17-18-15(19)21)13(20)10-4-2-1-3-5-10/h1-9,13,20H,(H,18,21)
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PC cid
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UniChem
Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...


J Enzyme Inhib Med Chem 25: 572-6 (2010)


Article DOI: 10.3109/14756360903389864
BindingDB Entry DOI: 10.7270/Q25H7F5M
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM233144
PNG
(5-(Hydroxybenzyl)-2-(4-nitrophenyl)amino-1,3,4-oxa...)
Show SMILES OC(c1nnc(Nc2ccc(cc2)[N+]([O-])=O)o1)c1ccccc1
Show InChI InChI=1S/C15H12N4O4/c20-13(10-4-2-1-3-5-10)14-17-18-15(23-14)16-11-6-8-12(9-7-11)19(21)22/h1-9,13,20H,(H,16,18)
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UniChem
Article
PubMed
n/an/a 8.03E+4n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...


J Enzyme Inhib Med Chem 25: 572-6 (2010)


Article DOI: 10.3109/14756360903389864
BindingDB Entry DOI: 10.7270/Q25H7F5M
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM233148
PNG
(5-(Hydroxybenzyl)-4-(4-nitrophenyl)-2H-1,2,4-triaz...)
Show SMILES OC(c1n[nH]c(=S)n1-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C15H12N4O3S/c20-13(10-4-2-1-3-5-10)14-16-17-15(23)18(14)11-6-8-12(9-7-11)19(21)22/h1-9,13,20H,(H,17,23)
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UniChem
Article
PubMed
n/an/a 1.32E+5n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...


J Enzyme Inhib Med Chem 25: 572-6 (2010)


Article DOI: 10.3109/14756360903389864
BindingDB Entry DOI: 10.7270/Q25H7F5M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%