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PubMed code 9371233

Compile data set for download or QSAR
Found 24 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)
BDBM2526
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C33H38O6S/c1-22-18-29(27(32(2,3)4)19-24(22)21-35)40-30-28(36)20-33(39-31(30)37,15-14-23-8-6-5-7-9-23)25-10-12-26(13-11-25)38-17-16-34/h5-13,18-19,30,34-35H,14-17,20-21H2,1-4H3
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n/an/a 1.40n/an/an/an/a6.237



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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2523
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3cccc(O)c3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C31H34O5S/c1-20-15-27(25(30(2,3)4)17-22(20)19-32)37-28-26(34)18-31(36-29(28)35,23-10-6-5-7-11-23)14-13-21-9-8-12-24(33)16-21/h5-12,15-17,28,32-33H,13-14,18-19H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2536
PNG
(6-Alkyl-6-phenethyldihydropyrone 13y | 6-[2-(4-ami...)
Show SMILES CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,25,30H,11-12,15-16,29H2,1-6H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2524
PNG
(6-Phenyl-6-phenethyldihydropyrone 13m | 6-[2-(4-am...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C31H35NO4S/c1-20-16-27(25(30(2,3)4)17-22(20)19-33)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(32)13-11-21/h5-13,16-17,28,33H,14-15,18-19,32H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2535
PNG
(6-Alkyl-6-phenethyldihydropyrone 13x | 6-[2-(4-ami...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)C2CCCCC2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C31H41NO4S/c1-20-16-27(25(30(2,3)4)17-22(20)19-33)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(32)13-11-21/h10-13,16-17,23,28,33H,5-9,14-15,18-19,32H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2533
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C28H36O5S/c1-17(2)28(12-11-19-7-9-21(30)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-29)14-22(24)27(4,5)6/h7-10,13-14,17,25,29-30H,11-12,15-16H2,1-6H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2528
PNG
(3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c(cc1O)C(C)(C)C
Show InChI InChI=1S/C32H36O6S/c1-21-18-28(25(19-26(21)34)31(2,3)4)39-29-27(35)20-32(38-30(29)36,15-14-22-8-6-5-7-9-22)23-10-12-24(13-11-23)37-17-16-33/h5-13,18-19,29,33-34H,14-17,20H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2525
PNG
(6-Phenyl-6-phenethyldihydropyrone 13n | 6-[2-(3-am...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3cccc(N)c3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C31H35NO4S/c1-20-15-27(25(30(2,3)4)17-22(20)19-33)37-28-26(34)18-31(36-29(28)35,23-10-6-5-7-11-23)14-13-21-9-8-12-24(32)16-21/h5-12,15-17,28,33H,13-14,18-19,32H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2532
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C31H40O5S/c1-20-16-27(25(30(2,3)4)17-22(20)19-32)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(33)13-11-21/h10-13,16-17,23,28,32-33H,5-9,14-15,18-19H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2534
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C26H32O5S/c1-16-12-22(20(25(2,3)4)13-18(16)15-27)32-23-21(29)14-26(5,31-24(23)30)11-10-17-6-8-19(28)9-7-17/h6-9,12-13,23,27-28H,10-11,14-15H2,1-5H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2529
PNG
(3-{[2-tert-butyl-4-(methoxymethyl)-5-methylphenyl]...)
Show SMILES COCc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)cc1C)C(C)(C)C
Show InChI InChI=1S/C34H40O6S/c1-23-19-30(28(33(2,3)4)20-25(23)22-38-5)41-31-29(36)21-34(40-32(31)37,16-15-24-9-7-6-8-10-24)26-11-13-27(14-12-26)39-18-17-35/h6-14,19-20,31,35H,15-18,21-22H2,1-5H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2527
PNG
(3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylpheny...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c(cc1OCCO)C(C)(C)C
Show InChI InChI=1S/C34H40O7S/c1-23-20-30(27(33(2,3)4)21-29(23)40-19-17-36)42-31-28(37)22-34(41-32(31)38,15-14-24-8-6-5-7-9-24)25-10-12-26(13-11-25)39-18-16-35/h5-13,20-21,31,35-36H,14-19,22H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2515
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C31H34O4S/c1-21-17-27(25(30(2,3)4)18-23(21)20-32)36-28-26(33)19-31(35-29(28)34,24-13-9-6-10-14-24)16-15-22-11-7-5-8-12-22/h5-14,17-18,28,32H,15-16,19-20H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2514
PNG
(3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylpheny...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1OCCO)C(C)(C)C
Show InChI InChI=1S/C32H36O5S/c1-22-19-28(25(31(2,3)4)20-27(22)36-18-17-33)38-29-26(34)21-32(37-30(29)35,24-13-9-6-10-14-24)16-15-23-11-7-5-8-12-23/h5-14,19-20,29,33H,15-18,21H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2517
PNG
(3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydrox...)
Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)c2ccccc2)c1)C(C)(C)C
Show InChI InChI=1S/C30H32O4S/c1-20-10-15-24(29(2,3)4)26(18-20)35-27-25(32)19-30(34-28(27)33,22-8-6-5-7-9-22)17-16-21-11-13-23(31)14-12-21/h5-15,18,27,31H,16-17,19H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2521
PNG
(3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydrox...)
Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c1)C(C)(C)C
Show InChI InChI=1S/C32H36O5S/c1-22-10-15-26(31(2,3)4)28(20-22)38-29-27(34)21-32(37-30(29)35,17-16-23-8-6-5-7-9-23)24-11-13-25(14-12-24)36-19-18-33/h5-15,20,29,33H,16-19,21H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2516
PNG
(3-[(2-tert-butyl-4-methoxy-5-methylphenyl)sulfanyl...)
Show SMILES COc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)cc1C)C(C)(C)C
Show InChI InChI=1S/C31H34O4S/c1-21-18-27(24(30(2,3)4)19-26(21)34-5)36-28-25(32)20-31(35-29(28)33,23-14-10-7-11-15-23)17-16-22-12-8-6-9-13-22/h6-15,18-19,28H,16-17,20H2,1-5H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2518
PNG
(6-Phenyl-6-phenethyldihydropyrone 13g | 6-[2-(4-am...)
Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)c2ccccc2)c1)C(C)(C)C
Show InChI InChI=1S/C30H33NO3S/c1-20-10-15-24(29(2,3)4)26(18-20)35-27-25(32)19-30(34-28(27)33,22-8-6-5-7-9-22)17-16-21-11-13-23(31)14-12-21/h5-15,18,27H,16-17,19,31H2,1-4H3
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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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2520
PNG
(6-(4-aminophenyl)-3-[(2-tert-butyl-5-methylphenyl)...)
Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(N)cc2)c1)C(C)(C)C
Show InChI InChI=1S/C30H33NO3S/c1-20-10-15-24(29(2,3)4)26(18-20)35-27-25(32)19-30(34-28(27)33,22-11-13-23(31)14-12-22)17-16-21-8-6-5-7-9-21/h5-15,18,27H,16-17,19,31H2,1-4H3
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n/an/a 32n/an/an/an/a6.237



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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2513
PNG
(3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1O)C(C)(C)C
Show InChI InChI=1S/C30H32O4S/c1-20-17-26(23(18-24(20)31)29(2,3)4)35-27-25(32)19-30(34-28(27)33,22-13-9-6-10-14-22)16-15-21-11-7-5-8-12-21/h5-14,17-18,27,31H,15-16,19H2,1-4H3
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n/an/a 33n/an/an/an/a6.237



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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2512
PNG
(3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydrox...)
Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c1)C(C)(C)C
Show InChI InChI=1S/C30H32O3S/c1-21-15-16-24(29(2,3)4)26(19-21)34-27-25(31)20-30(33-28(27)32,23-13-9-6-10-14-23)18-17-22-11-7-5-8-12-22/h5-16,19,27H,17-18,20H2,1-4H3
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n/an/a 35n/an/an/an/a6.237



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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2519
PNG
(3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydrox...)
Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(O)cc2)c1)C(C)(C)C
Show InChI InChI=1S/C30H32O4S/c1-20-10-15-24(29(2,3)4)26(18-20)35-27-25(32)19-30(34-28(27)33,22-11-13-23(31)14-12-22)17-16-21-8-6-5-7-9-21/h5-15,18,27,31H,16-17,19H2,1-4H3
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n/an/a 40n/an/an/an/a6.237



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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2530
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)c2ccc(O)cc2)c(cc1CO)C(C)(C)C
Show InChI InChI=1S/C31H34O6S/c1-19-15-27(25(30(2,3)4)16-21(19)18-32)38-28-26(35)17-31(37-29(28)36,22-7-11-24(34)12-8-22)14-13-20-5-9-23(33)10-6-20/h5-12,15-16,28,32-34H,13-14,17-18H2,1-4H3
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n/an/a 120n/an/an/an/a6.237



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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2531
PNG
(3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...)
Show SMILES COc1ccc(cc1)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C32H36O6S/c1-20-16-28(26(31(2,3)4)17-22(20)19-33)39-29-27(35)18-32(38-30(29)36,23-8-12-25(37-5)13-9-23)15-14-21-6-10-24(34)11-7-21/h6-13,16-17,29,33-34H,14-15,18-19H2,1-5H3
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n/an/an/an/an/an/an/a6.237



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 40: 3707-11 (1997)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q2ZC812F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%