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PubMed code 15482948

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
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9204
PNG
((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-3-[(3-fluorophen...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2cccc(F)c2)C1=O |r|
Show InChI InChI=1S/C38H40FN3O4/c39-31-16-9-14-28(19-31)23-41-24-32(20-27-12-5-2-6-13-27)42(38(41)46)25-33(43)21-30(18-26-10-3-1-4-11-26)37(45)40-36-34-17-8-7-15-29(34)22-35(36)44/h1-17,19,30,32-33,35-36,43-44H,18,20-25H2,(H,40,45)/t30-,32+,33+,35-,36+/m1/s1
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PubMed
3.20 -48.5n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 14: 5685-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.038
BindingDB Entry DOI: 10.7270/Q25Q4T9W
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9205
PNG
((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-3-[(4-methoxyphe...)
Show SMILES COc1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc1 |r|
Show InChI InChI=1S/C39H43N3O5/c1-47-34-18-16-29(17-19-34)24-41-25-32(21-28-12-6-3-7-13-28)42(39(41)46)26-33(43)22-31(20-27-10-4-2-5-11-27)38(45)40-37-35-15-9-8-14-30(35)23-36(37)44/h2-19,31-33,36-37,43-44H,20-26H2,1H3,(H,40,45)/t31-,32+,33+,36-,37+/m1/s1
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5.60 -47.1n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 14: 5685-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.038
BindingDB Entry DOI: 10.7270/Q25Q4T9W
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9199
PNG
((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2cccnc2)C1=O |r|
Show InChI InChI=1S/C37H40N4O4/c42-32(25-41-31(19-27-12-5-2-6-13-27)24-40(37(41)45)23-28-14-9-17-38-22-28)20-30(18-26-10-3-1-4-11-26)36(44)39-35-33-16-8-7-15-29(33)21-34(35)43/h1-17,22,30-32,34-35,42-43H,18-21,23-25H2,(H,39,44)/t30-,31+,32+,34-,35+/m1/s1
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18 -44.2n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 14: 5685-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.038
BindingDB Entry DOI: 10.7270/Q25Q4T9W
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9200
PNG
((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2ccccn2)C1=O |r|
Show InChI InChI=1S/C37H40N4O4/c42-32(25-41-31(20-27-13-5-2-6-14-27)24-40(37(41)45)23-30-16-9-10-18-38-30)21-29(19-26-11-3-1-4-12-26)36(44)39-35-33-17-8-7-15-28(33)22-34(35)43/h1-18,29,31-32,34-35,42-43H,19-25H2,(H,39,44)/t29-,31+,32+,34-,35+/m1/s1
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PubMed
41 -42.2n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 14: 5685-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.038
BindingDB Entry DOI: 10.7270/Q25Q4T9W
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9202
PNG
((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-[(3,4,5-...)
Show SMILES COc1cc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc(OC)c1OC |r|
Show InChI InChI=1S/C41H47N3O7/c1-49-36-20-29(21-37(50-2)39(36)51-3)24-43-25-32(19-28-14-8-5-9-15-28)44(41(43)48)26-33(45)22-31(18-27-12-6-4-7-13-27)40(47)42-38-34-17-11-10-16-30(34)23-35(38)46/h4-17,20-21,31-33,35,38,45-46H,18-19,22-26H2,1-3H3,(H,42,47)/t31-,32+,33+,35-,38+/m1/s1
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100 -40.0n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 14: 5685-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.038
BindingDB Entry DOI: 10.7270/Q25Q4T9W
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9201
PNG
((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2ccncc2)C1=O |r|
Show InChI InChI=1S/C37H40N4O4/c42-32(25-41-31(20-27-11-5-2-6-12-27)24-40(37(41)45)23-28-15-17-38-18-16-28)21-30(19-26-9-3-1-4-10-26)36(44)39-35-33-14-8-7-13-29(33)22-34(35)43/h1-18,30-32,34-35,42-43H,19-25H2,(H,39,44)/t30-,31+,32+,34-,35+/m1/s1
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190 -38.4n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 14: 5685-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.038
BindingDB Entry DOI: 10.7270/Q25Q4T9W
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9203
PNG
((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-3-[(4-methanesul...)
Show SMILES CS(=O)(=O)c1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc1 |r|
Show InChI InChI=1S/C39H43N3O6S/c1-49(47,48)34-18-16-29(17-19-34)24-41-25-32(21-28-12-6-3-7-13-28)42(39(41)46)26-33(43)22-31(20-27-10-4-2-5-11-27)38(45)40-37-35-15-9-8-14-30(35)23-36(37)44/h2-19,31-33,36-37,43-44H,20-26H2,1H3,(H,40,45)/t31-,32+,33+,36-,37+/m1/s1
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PubMed
300 -37.2n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 14: 5685-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.038
BindingDB Entry DOI: 10.7270/Q25Q4T9W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%