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PubMed code 7699705

Compile data set for download or QSAR
Found 19 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 [489-587]


(Human immunodeficiency virus type 1)
BDBM2510
PNG
((+/-)-3-[ 1-(Cyclopentylthio)-3-methylbutyl]-4-hyd...)
Show SMILES CC(C)CC(SC1CCCC1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C21H26O3S/c1-14(2)12-19(25-16-10-6-7-11-16)20-17(22)13-18(24-21(20)23)15-8-4-3-5-9-15/h3-5,8-9,13-14,16,19,22H,6-7,10-12H2,1-2H3
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33 -44.4 58n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2511
PNG
((+/-)-3-[ l-(Cyclopentylthio)-2-cyclopropylethyl]-...)
Show SMILES Oc1cc(oc(=O)c1C(CC1CC1)SC1CCCC1)-c1ccccc1
Show InChI InChI=1S/C21H24O3S/c22-17-13-18(15-6-2-1-3-7-15)24-21(23)20(17)19(12-14-10-11-14)25-16-8-4-5-9-16/h1-3,6-7,13-14,16,19,22H,4-5,8-12H2
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n/an/a 69n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2502
PNG
((+/-)-3-[2-Cyclopropyl-1-[(phenylmethyl)thio]ethyl...)
Show SMILES Oc1cc(oc(=O)c1C(CC1CC1)SCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H22O3S/c24-19-14-20(18-9-5-2-6-10-18)26-23(25)22(19)21(13-16-11-12-16)27-15-17-7-3-1-4-8-17/h1-10,14,16,21,24H,11-13,15H2
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n/an/a 84n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2505
PNG
((+/-)-3- [ 1 - (Cyclohexylthio) -2-cyclopropylethy...)
Show SMILES Oc1cc(oc(=O)c1C(CC1CC1)SC1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H26O3S/c23-18-14-19(16-7-3-1-4-8-16)25-22(24)21(18)20(13-15-11-12-15)26-17-9-5-2-6-10-17/h1,3-4,7-8,14-15,17,20,23H,2,5-6,9-13H2
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n/an/a 147n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2509
PNG
((+/-)-3-[Cyclopentyl(cyclopentylthio)methyl]-4-hyd...)
Show SMILES Oc1cc(oc(=O)c1C(SC1CCCC1)C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C22H26O3S/c23-18-14-19(15-8-2-1-3-9-15)25-22(24)20(18)21(16-10-4-5-11-16)26-17-12-6-7-13-17/h1-3,8-9,14,16-17,21,23H,4-7,10-13H2
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n/an/a 225n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2501
PNG
((+/-)-4-Hydroxy-3-[ 1-[ (phenylmethyl)thio]-3-meth...)
Show SMILES CC(C)CC(SCc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H24O3S/c1-16(2)13-21(27-15-17-9-5-3-6-10-17)22-19(24)14-20(26-23(22)25)18-11-7-4-8-12-18/h3-12,14,16,21,24H,13,15H2,1-2H3
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n/an/a 260n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2507
PNG
((+/-)-3-[1-(Cyclohexylthio)-3,3-dimethylbutyl]-4-h...)
Show SMILES CC(C)(C)CC(SC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H30O3S/c1-23(2,3)15-20(27-17-12-8-5-9-13-17)21-18(24)14-19(26-22(21)25)16-10-6-4-7-11-16/h4,6-7,10-11,14,17,20,24H,5,8-9,12-13,15H2,1-3H3
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n/an/a 300n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2504
PNG
((+/-)-3-[ l-(Cyclohexylthio)-3-methylbutyl]-4-hydr...)
Show SMILES CC(C)CC(SC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C22H28O3S/c1-15(2)13-20(26-17-11-7-4-8-12-17)21-18(23)14-19(25-22(21)24)16-9-5-3-6-10-16/h3,5-6,9-10,14-15,17,20,23H,4,7-8,11-13H2,1-2H3
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n/an/a 320n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2498
PNG
((+/-)-4-Hydroxy-3-[4-methyl-l-(phenylthio)pentyl]-...)
Show SMILES CC(C)CCC(Sc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H24O3S/c1-16(2)13-14-21(27-18-11-7-4-8-12-18)22-19(24)15-20(26-23(22)25)17-9-5-3-6-10-17/h3-12,15-16,21,24H,13-14H2,1-2H3
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n/an/a 390n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2497
PNG
((+/-)-4-Hydroxy-3-[3-methyl-1-(phenylthio)butyl]-6...)
Show SMILES CC(C)CC(Sc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C22H22O3S/c1-15(2)13-20(26-17-11-7-4-8-12-17)21-18(23)14-19(25-22(21)24)16-9-5-3-6-10-16/h3-12,14-15,20,23H,13H2,1-2H3
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n/an/a 410n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2500
PNG
((+/-)-4-Hydroxy-6-phenyl-3-[phenyl[(phenylmethyl)t...)
Show SMILES Oc1cc(oc(=O)c1C(SCc1ccccc1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H20O3S/c26-21-16-22(19-12-6-2-7-13-19)28-25(27)23(21)24(20-14-8-3-9-15-20)29-17-18-10-4-1-5-11-18/h1-16,24,26H,17H2
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n/an/a 480n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2503
PNG
((+/-)3[ (Cyclohexylthio)phenylmethyl]-4-hydroxy-6-...)
Show SMILES Oc1cc(oc(=O)c1C(SC1CCCCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H24O3S/c25-20-16-21(17-10-4-1-5-11-17)27-24(26)22(20)23(18-12-6-2-7-13-18)28-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,23,25H,3,8-9,14-15H2
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n/an/a 480n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2506
PNG
((+/-)-3-[1-(Cyclohexylthio)-2-cyclopentylethyl]-4-...)
Show SMILES Oc1cc(oc(=O)c1C(CC1CCCC1)SC1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C24H30O3S/c25-20-16-21(18-11-3-1-4-12-18)27-24(26)23(20)22(15-17-9-7-8-10-17)28-19-13-5-2-6-14-19/h1,3-4,11-12,16-17,19,22,25H,2,5-10,13-15H2
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n/an/a 541n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2494
PNG
((+/-)-4-Hydroxy.6-phenyl-3-[phenyl(phenylthio)meth...)
Show SMILES Oc1cc(oc(=O)c1C(Sc1ccccc1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H18O3S/c25-20-16-21(17-10-4-1-5-11-17)27-24(26)22(20)23(18-12-6-2-7-13-18)28-19-14-8-3-9-15-19/h1-16,23,25H
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n/an/a 780n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2508
PNG
((+/-)-3-[ 1-[(Cyclohexylmethyl)thiol-3-methylbutyl...)
Show SMILES CC(C)CC(SCC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H30O3S/c1-16(2)13-21(27-15-17-9-5-3-6-10-17)22-19(24)14-20(26-23(22)25)18-11-7-4-8-12-18/h4,7-8,11-12,14,16-17,21,24H,3,5-6,9-10,13,15H2,1-2H3
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n/an/a 848n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2496
PNG
((+/-)-3-[Cyclohexyl(phenylthio)methyl]-4-hydroxy-p...)
Show SMILES Oc1cc(oc(=O)c1C(Sc1ccccc1)C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C24H24O3S/c25-20-16-21(17-10-4-1-5-11-17)27-24(26)22(20)23(18-12-6-2-7-13-18)28-19-14-8-3-9-15-19/h1,3-5,8-11,14-16,18,23,25H,2,6-7,12-13H2
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n/an/a 2.44E+3n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2499
PNG
((+/-)-4-Hydroxy-3-[(2-naphthalenylthio)phenylmethy...)
Show SMILES Oc1cc(oc(=O)c1C(Sc1ccc2ccccc2c1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H20O3S/c29-24-18-25(20-10-3-1-4-11-20)31-28(30)26(24)27(21-12-5-2-6-13-21)32-23-16-15-19-9-7-8-14-22(19)17-23/h1-18,27,29H
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n/an/a 2.45E+3n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2495
PNG
((+/-)-4-Hydroxy-3-[2-naphthalenyl(phenylthio)methy...)
Show SMILES Oc1cc(oc(=O)c1C(Sc1ccccc1)c1ccc2ccccc2c1)-c1ccccc1
Show InChI InChI=1S/C28H20O3S/c29-24-18-25(20-10-3-1-4-11-20)31-28(30)26(24)27(32-23-13-5-2-6-14-23)22-16-15-19-9-7-8-12-21(19)17-22/h1-18,27,29H
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n/an/a 7.82E+3n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2493
PNG
(4-hydroxy-6-phenyl-3-[(phenylsulfanyl)methyl]-2H-p...)
Show SMILES Oc1cc(oc(=O)c1CSc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H14O3S/c19-16-11-17(13-7-3-1-4-8-13)21-18(20)15(16)12-22-14-9-5-2-6-10-14/h1-11,19H,12H2
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n/an/a 8.43E+4n/an/an/an/a4.737



Parke-Davis Pharmaceutical Research



Assay Description
For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...


J Med Chem 38: 898-905 (1995)


Article DOI: 10.1021/jm00006a007
BindingDB Entry DOI: 10.7270/Q2348HJB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%