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PubMed code 8691434

Compile data set for download or QSAR
Found 25 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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1179
PNG
(N-[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-[(tetrahydr...)
Show SMILES CCC(CC1CCOCC1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C28H35N3O6S/c1-3-19(13-18-9-11-36-12-10-18)24-15-23(32)27(28(33)37-24)26(20-7-8-20)21-5-4-6-22(14-21)30-38(34,35)25-16-31(2)17-29-25/h4-6,14-20,26,30,32H,3,7-13H2,1-2H3
PDB
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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
0.480 -52.7n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1175
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(pentan-3-yl)-...)
Show SMILES CCC(CC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C24H29N3O5S/c1-4-15(5-2)20-12-19(28)23(24(29)32-20)22(16-9-10-16)17-7-6-8-18(11-17)26-33(30,31)21-13-27(3)14-25-21/h6-8,11-16,22,26,28H,4-5,9-10H2,1-3H3
PDB
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UniProtKB/TrEMBL

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GoogleScholar
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UniChem

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Article
PubMed
0.540 -52.4n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1170
PNG
(N-[3-[Cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2H-1-b...)
Show SMILES COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4cn(C)cn4)c3)c(=O)oc2c1
Show InChI InChI=1S/C24H23N3O6S/c1-27-12-20(25-13-27)34(30,31)26-16-5-3-4-15(10-16)21(14-6-7-14)22-23(28)18-9-8-17(32-2)11-19(18)33-24(22)29/h3-5,8-14,21,26,28H,6-7H2,1-2H3
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Article
PubMed
0.700 -51.7n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1180
PNG
(N-[3-[Cyclopropyl[6-[1-ethyl-3-(2-methoxyethoxy)pr...)
Show SMILES CCC(CCOCCOC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C27H35N3O7S/c1-4-18(10-11-36-13-12-35-3)23-15-22(31)26(27(32)37-23)25(19-8-9-19)20-6-5-7-21(14-20)29-38(33,34)24-16-30(2)17-28-24/h5-7,14-19,25,29,31H,4,8-13H2,1-3H3
PDB
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PubMed
0.880 -51.2n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1173
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(2-phenylethyl...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(CCc2ccccc2)oc1=O
Show InChI InChI=1S/C27H27N3O5S/c1-30-16-24(28-17-30)36(33,34)29-21-9-5-8-20(14-21)25(19-11-12-19)26-23(31)15-22(35-27(26)32)13-10-18-6-3-2-4-7-18/h2-9,14-17,19,25,29,31H,10-13H2,1H3
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Article
PubMed
0.970 -50.9n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1176
PNG
(N-(3-{cyclopropyl[6-(1,3-dicyclopropylpropan-2-yl)...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC1CC1)CC1CC1
Show InChI InChI=1S/C28H33N3O5S/c1-31-15-25(29-16-31)37(34,35)30-22-4-2-3-20(13-22)26(19-9-10-19)27-23(32)14-24(36-28(27)33)21(11-17-5-6-17)12-18-7-8-18/h2-4,13-19,21,26,30,32H,5-12H2,1H3
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Article
PubMed
1 -50.9n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1178
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C29H31N3O5S/c1-3-20(14-19-8-5-4-6-9-19)25-16-24(33)28(29(34)37-25)27(21-12-13-21)22-10-7-11-23(15-22)31-38(35,36)26-17-32(2)18-30-26/h4-11,15-18,20-21,27,31,33H,3,12-14H2,1-2H3
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Article
PubMed
1.30 -50.2n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1172
PNG
(N-[3-[Cyclopropyl(4-hydroxy-2-oxo-6-propyl-2H-pyra...)
Show SMILES CCCc1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C22H25N3O5S/c1-3-5-17-11-18(26)21(22(27)30-17)20(14-8-9-14)15-6-4-7-16(10-15)24-31(28,29)19-12-25(2)13-23-19/h4,6-7,10-14,20,24,26H,3,5,8-9H2,1-2H3
PDB
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Article
PubMed
1.40 -50.0n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1174
PNG
(N-[3-[Cyclopropyl[6-[3-(2-methoxyethoxy)propyl]-4-...)
Show SMILES COCCOCCCc1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C25H31N3O7S/c1-28-15-22(26-16-28)36(31,32)27-19-6-3-5-18(13-19)23(17-8-9-17)24-21(29)14-20(35-25(24)30)7-4-10-34-12-11-33-2/h3,5-6,13-17,23,27,29H,4,7-12H2,1-2H3
PDB
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Article
PubMed
1.60 -49.7n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1191
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)c(=O)o1
Show InChI InChI=1S/C34H32N2O5S/c1-2-23(19-22-9-4-3-5-10-22)29-21-28(37)32(34(38)41-29)31(24-16-17-24)26-12-6-14-27(20-26)36-42(39,40)30-15-7-11-25-13-8-18-35-33(25)30/h3-15,18,20-21,23-24,31,36-37H,2,16-17,19H2,1H3
PDB
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Article
PubMed
3.5 -47.8n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1177
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(2,5,11,14-tet...)
Show SMILES COCCOCCC(CCOCCOC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C30H41N3O9S/c1-33-19-27(31-20-33)43(36,37)32-24-6-4-5-23(17-24)28(22-7-8-22)29-25(34)18-26(42-30(29)35)21(9-11-40-15-13-38-2)10-12-41-16-14-39-3/h4-6,17-22,28,32,34H,7-16H2,1-3H3
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Article
PubMed
4.20 -47.3n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1169
PNG
(N-[3-[Cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2H-1-b...)
Show SMILES COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4cccc5cccnc45)c3)c(=O)oc2c1
Show InChI InChI=1S/C29H24N2O6S/c1-36-21-12-13-22-23(16-21)37-29(33)26(28(22)32)25(17-10-11-17)19-6-2-8-20(15-19)31-38(34,35)24-9-3-5-18-7-4-14-30-27(18)24/h2-9,12-17,25,31-32H,10-11H2,1H3
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PubMed
4.90 -47.0n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1184
PNG
(N-(3-{cyclopropyl[6-(1,3-dicyclopropylpropan-2-yl)...)
Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)C(CC1CC1)CC1CC1
Show InChI InChI=1S/C33H34N2O5S/c36-27-19-28(25(16-20-9-10-20)17-21-11-12-21)40-33(37)31(27)30(22-13-14-22)24-5-1-7-26(18-24)35-41(38,39)29-8-2-4-23-6-3-15-34-32(23)29/h1-8,15,18-22,25,30,35-36H,9-14,16-17H2
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Article
PubMed
5.30 -46.8n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1183
PNG
(4-cyano-N-(3-{cyclopropyl[6-(1,3-dicyclopropylprop...)
Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)C(CC1CC1)CC1CC1
Show InChI InChI=1S/C31H32N2O5S/c32-18-21-8-12-26(13-9-21)39(36,37)33-25-3-1-2-23(16-25)29(22-10-11-22)30-27(34)17-28(38-31(30)35)24(14-19-4-5-19)15-20-6-7-20/h1-3,8-9,12-13,16-17,19-20,22,24,29,33-34H,4-7,10-11,14-15H2
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5.40 -46.7n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1189
PNG
(4-cyano-N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phe...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)c(=O)o1
Show InChI InChI=1S/C32H30N2O5S/c1-2-23(17-21-7-4-3-5-8-21)29-19-28(35)31(32(36)39-29)30(24-13-14-24)25-9-6-10-26(18-25)34-40(37,38)27-15-11-22(20-33)12-16-27/h3-12,15-16,18-19,23-24,30,34-35H,2,13-14,17H2,1H3
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PubMed
5.70 -46.6n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1168
PNG
(4-cyano-N-{3-[cyclopropyl(4-hydroxy-7-methoxy-2-ox...)
Show SMILES COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4ccc(cc4)C#N)c3)c(=O)oc2c1
Show InChI InChI=1S/C27H22N2O6S/c1-34-20-9-12-22-23(14-20)35-27(31)25(26(22)30)24(17-7-8-17)18-3-2-4-19(13-18)29-36(32,33)21-10-5-16(15-28)6-11-21/h2-6,9-14,17,24,29-30H,7-8H2,1H3
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PubMed
5.80 -46.5n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1167
PNG
(N-[3-[Cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2H-1-b...)
Show SMILES COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)c(=O)oc2c1
Show InChI InChI=1S/C26H22FNO6S/c1-33-19-9-12-21-22(14-19)34-26(30)24(25(21)29)23(15-5-6-15)16-3-2-4-18(13-16)28-35(31,32)20-10-7-17(27)8-11-20/h2-4,7-15,23,28-29H,5-6H2,1H3
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Article
PubMed
7.70 -45.8n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1190
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cccnc3)c2)c(=O)o1
Show InChI InChI=1S/C30H30N2O5S/c1-2-21(16-20-8-4-3-5-9-20)27-18-26(33)29(30(34)37-27)28(22-13-14-22)23-10-6-11-24(17-23)32-38(35,36)25-12-7-15-31-19-25/h3-12,15,17-19,21-22,28,32-33H,2,13-14,16H2,1H3
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PubMed
12 -44.8n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1171
PNG
(N-[3-[Cyclopropyl(4-hydroxy-6-methyl-2-oxo-2H-pyra...)
Show SMILES Cc1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
Show InChI InChI=1S/C20H21N3O5S/c1-12-8-16(24)19(20(25)28-12)18(13-6-7-13)14-4-3-5-15(9-14)22-29(26,27)17-10-23(2)11-21-17/h3-5,8-11,13,18,22,24H,6-7H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
14 -44.4n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1188
PNG
(4-chloro-N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-ph...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(=O)o1
Show InChI InChI=1S/C31H30ClNO5S/c1-2-21(17-20-7-4-3-5-8-20)28-19-27(34)30(31(35)38-28)29(22-11-12-22)23-9-6-10-25(18-23)33-39(36,37)26-15-13-24(32)14-16-26/h3-10,13-16,18-19,21-22,29,33-34H,2,11-12,17H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
15 -44.2n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1182
PNG
(CHEMBL80882 | N-(3-{cyclopropyl[6-(1,3-dicycloprop...)
Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)C(CC1CC1)CC1CC1
Show InChI InChI=1S/C30H32FNO5S/c31-23-10-12-25(13-11-23)38(35,36)32-24-3-1-2-21(16-24)28(20-8-9-20)29-26(33)17-27(37-30(29)34)22(14-18-4-5-18)15-19-6-7-19/h1-3,10-13,16-20,22,28,32-33H,4-9,14-15H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
16 -44.0n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1186
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C31H31NO5S/c1-2-22(18-21-10-5-3-6-11-21)28-20-27(33)30(31(34)37-28)29(23-16-17-23)24-12-9-13-25(19-24)32-38(35,36)26-14-7-4-8-15-26/h3-15,19-20,22-23,29,32-33H,2,16-18H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
17 -43.9n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1187
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)c(=O)o1
Show InChI InChI=1S/C32H33NO6S/c1-3-22(18-21-8-5-4-6-9-21)29-20-28(34)31(32(35)39-29)30(23-12-13-23)24-10-7-11-25(19-24)33-40(36,37)27-16-14-26(38-2)15-17-27/h4-11,14-17,19-20,22-23,30,33-34H,3,12-13,18H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
22 -43.3n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1181
PNG
(N-(3-{cyclopropyl[6-(1,3-dicyclopropylpropan-2-yl)...)
Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(CC1CC1)CC1CC1
Show InChI InChI=1S/C30H33NO5S/c32-26-18-27(23(15-19-9-10-19)16-20-11-12-20)36-30(33)29(26)28(21-13-14-21)22-5-4-6-24(17-22)31-37(34,35)25-7-2-1-3-8-25/h1-8,17-21,23,28,31-32H,9-16H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
23 -43.2n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1185
PNG
(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan...)
Show SMILES CCCS(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC)Cc1ccccc1
Show InChI InChI=1S/C28H33NO5S/c1-3-15-35(32,33)29-23-12-8-11-22(17-23)26(21-13-14-21)27-24(30)18-25(34-28(27)31)20(4-2)16-19-9-6-5-7-10-19/h5-12,17-18,20-21,26,29-30H,3-4,13-16H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
40 -41.8n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 2400-10 (1996)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q20K26RK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%