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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50244756   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50244756
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
Show InChI InChI=1S/C12H4F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H
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PC sid
UniChem
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50244756
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
Show InChI InChI=1S/C12H4F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H
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PC sid
UniChem
Article
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inibition of human cathepsin G


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244756
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
Show InChI InChI=1S/C12H4F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50244756
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
Show InChI InChI=1S/C12H4F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50244756
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
Show InChI InChI=1S/C12H4F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of human ACE


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50244756
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
Show InChI InChI=1S/C12H4F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair