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PubMed code 27046062

Compile data set for download or QSAR
Found 3 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
PA/PB1


(Hepatitis C virus)
BDBM50088493
PNG
(DICLAZURIL | Diclazuril | R-64433)
Show SMILES Clc1ccc(cc1)C(C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
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Article
PubMed
n/an/an/a 2.11E+5n/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to PA cavity of recombinant Influenza A virus A/PR/8/34(H1N1) PA (239 to 716 residues) measured after 2 mins by SPR analysis


J Med Chem 59: 7699-718 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01474
BindingDB Entry DOI: 10.7270/Q21C1ZTF
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50190646
PNG
(Finaplix | RU-1697 | TRENBOLONE ACETATE | Trenbolo...)
Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1
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Article
PubMed
n/an/an/a 9.07E+4n/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to PA cavity of recombinant Influenza A virus A/PR/8/34(H1N1) PA (239 to 716 residues) measured after 2 mins by SPR analysis


J Med Chem 59: 7699-718 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01474
BindingDB Entry DOI: 10.7270/Q21C1ZTF
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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Article
PubMed
n/an/an/a 4.82E+4n/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to PA cavity of recombinant Influenza A virus A/PR/8/34(H1N1) PA (239 to 716 residues) measured after 2 mins by SPR analysis


J Med Chem 59: 7699-718 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01474
BindingDB Entry DOI: 10.7270/Q21C1ZTF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%