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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'tokay' and Initial = 'e'   
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
Putative nitroreductase


(Staphylococcus saprophyticus subsp. saprophyticus ...)
BDBM50520024
PNG
(CHEMBL4564160)
Show SMILES [O-][N+](=O)c1ccc(NCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N6O8/c21-17(22)9-1-3-11(13(7-9)19(25)26)15-5-6-16-12-4-2-10(18(23)24)8-14(12)20(27)28/h1-4,7-8,15-16H,5-6H2
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UniChem
Article
PubMed
283n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus saprophyticus nitroreductase NtrB


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111937
BindingDB Entry DOI: 10.7270/Q2571GD4
More data for this
Ligand-Target Pair
Putative nitroreductase


(Staphylococcus saprophyticus subsp. saprophyticus ...)
BDBM50520025
PNG
(CHEMBL4442911)
Show SMILES [O-][N+](=O)c1ccc(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C18H11N7O10/c26-21(27)10-1-4-13(19-14-5-2-11(22(28)29)8-17(14)24(32)33)16(7-10)20-15-6-3-12(23(30)31)9-18(15)25(34)35/h1-9,19-20H
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UniChem
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896n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus saprophyticus nitroreductase NtrB


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111937
BindingDB Entry DOI: 10.7270/Q2571GD4
More data for this
Ligand-Target Pair
Putative nitroreductase


(Staphylococcus saprophyticus subsp. saprophyticus ...)
BDBM50004681
PNG
(5-aziridin-1-yl-2,4-dinitro-benzamide | 5-aziridin...)
Show SMILES NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
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Article
PubMed
5.96E+3n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus saprophyticus nitroreductase NtrB


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111937
BindingDB Entry DOI: 10.7270/Q2571GD4
More data for this
Ligand-Target Pair
Putative nitroreductase


(Staphylococcus saprophyticus subsp. saprophyticus ...)
BDBM50004694
PNG
(5-(bis(2-chloroethyl)amino)-2,4-dinitrobenzamide |...)
Show SMILES NC(=O)c1cc(N(CCCl)CCCl)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H12Cl2N4O5/c12-1-3-15(4-2-13)9-5-7(11(14)18)8(16(19)20)6-10(9)17(21)22/h5-6H,1-4H2,(H2,14,18)
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Article
PubMed
7.28E+3n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus saprophyticus nitroreductase NtrB


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111937
BindingDB Entry DOI: 10.7270/Q2571GD4
More data for this
Ligand-Target Pair