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Compile Data Set for Download or QSAR

Found 410 hits with Last Name = 'schwende' and Initial = 'f'   
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)
BDBM1512
PNG
(N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...)
Show SMILES CC(C)CC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C26H33N3O5S/c1-17(2)13-21(24-25(30)20-11-6-4-5-7-12-22(20)34-26(24)31)18-9-8-10-19(14-18)28-35(32,33)23-15-29(3)16-27-23/h8-10,14-17,21,28,30H,4-7,11-13H2,1-3H3
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UniProtKB/TrEMBL

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0.0860n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1510
PNG
(N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...)
Show SMILES CCCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C25H31N3O5S/c1-3-9-19(23-24(29)20-12-6-4-5-7-13-21(20)33-25(23)30)17-10-8-11-18(14-17)27-34(31,32)22-15-28(2)16-26-22/h8,10-11,14-16,19,27,29H,3-7,9,12-13H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1492
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cnccn2)c1
Show InChI InChI=1S/C25H27N3O5S/c29-24-19-8-3-1-2-4-9-20(19)33-25(30)23(24)22(16-10-11-16)17-6-5-7-18(14-17)28-34(31,32)21-15-26-12-13-27-21/h5-7,12-16,22,28-29H,1-4,8-11H2
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0.200n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1489
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C30H30N2O5S/c33-29-23-11-3-1-2-4-13-25(23)37-30(34)28(29)27(20-14-15-20)21-9-7-10-22(18-21)32-38(35,36)26-17-16-19-8-5-6-12-24(19)31-26/h5-10,12,16-18,20,27,32-33H,1-4,11,13-15H2
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0.400n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1511
PNG
(N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...)
Show SMILES CC(C)C(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C25H31N3O5S/c1-16(2)22(23-24(29)19-11-6-4-5-7-12-20(19)33-25(23)30)17-9-8-10-18(13-17)27-34(31,32)21-14-28(3)15-26-21/h8-10,13-16,22,27,29H,4-7,11-12H2,1-3H3
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0.5n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1455
PNG
(3-cyano-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1
Show InChI InChI=1S/C28H28N2O5S/c29-17-18-7-5-10-22(15-18)36(33,34)30-21-9-6-8-20(16-21)25(19-13-14-19)26-27(31)23-11-3-1-2-4-12-24(23)35-28(26)32/h5-10,15-16,19,25,30-31H,1-4,11-14H2
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0.600 -52.1n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM767
PNG
(4-Cyano-N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1[C@@H](C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
Show InChI InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2/t25-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1493
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ncccn2)c1
Show InChI InChI=1S/C25H27N3O5S/c29-23-19-9-3-1-2-4-10-20(19)33-24(30)22(23)21(16-11-12-16)17-7-5-8-18(15-17)28-34(31,32)25-26-13-6-14-27-25/h5-8,13-16,21,28-29H,1-4,9-12H2
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0.800n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1491
PNG
(5-cyano-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cn2)C#N)c1
Show InChI InChI=1S/C27H27N3O5S/c28-15-17-10-13-23(29-16-17)36(33,34)30-20-7-5-6-19(14-20)24(18-11-12-18)25-26(31)21-8-3-1-2-4-9-22(21)35-27(25)32/h5-7,10,13-14,16,18,24,30-31H,1-4,8-9,11-12H2
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1n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1502
PNG
(4-Cyano-N-[3-[1-(5,6,7,8,9,10-hexahydro-4-hydroxy-...)
Show SMILES CCCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C28H30N2O5S/c1-2-8-23(26-27(31)24-11-5-3-4-6-12-25(24)35-28(26)32)20-9-7-10-21(17-20)30-36(33,34)22-15-13-19(18-29)14-16-22/h7,9-10,13-17,23,30-31H,2-6,8,11-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1453
PNG
(Sulfonamide-Substituted Cyclooctylpyranone deriv. ...)
Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C29H31NO7S/c1-36-28(32)20-9-7-11-22(17-20)38(34,35)30-21-10-6-8-19(16-21)25(18-14-15-18)26-27(31)23-12-4-2-3-5-13-24(23)37-29(26)33/h6-11,16-18,25,30-31H,2-5,12-15H2,1H3
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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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1505
PNG
(4-Cyano-N-[3-[1-(5,6,7,8,9,10-hexahydro-4-hydroxy-...)
Show SMILES CC(C)CC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C29H32N2O5S/c1-19(2)16-25(27-28(32)24-10-5-3-4-6-11-26(24)36-29(27)33)21-8-7-9-22(17-21)31-37(34,35)23-14-12-20(18-30)13-15-23/h7-9,12-15,17,19,25,31-32H,3-6,10-11,16H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1497
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cscn2)c1
Show InChI InChI=1S/C24H26N2O5S2/c27-23-18-8-3-1-2-4-9-19(18)31-24(28)22(23)21(15-10-11-15)16-6-5-7-17(12-16)26-33(29,30)20-13-32-14-25-20/h5-7,12-15,21,26-27H,1-4,8-11H2
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1.60n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1487
PNG
(N-[3-[Cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C25H29N3O5S/c1-28-14-21(26-15-28)34(31,32)27-18-8-6-7-17(13-18)22(16-11-12-16)23-24(29)19-9-4-2-3-5-10-20(19)33-25(23)30/h6-8,13-16,22,27,29H,2-5,9-12H2,1H3
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1.60n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1488
PNG
(N-[3-[Cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
Show InChI InChI=1S/C30H30N2O5S/c33-29-23-12-3-1-2-4-13-24(23)37-30(34)27(29)26(19-15-16-19)21-9-5-11-22(18-21)32-38(35,36)25-14-6-8-20-10-7-17-31-28(20)25/h5-11,14,17-19,26,32-33H,1-4,12-13,15-16H2
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1.90n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1469
PNG
(4-({3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H...)
Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C28H30N2O6S/c29-27(32)18-12-14-21(15-13-18)37(34,35)30-20-7-5-6-19(16-20)24(17-10-11-17)25-26(31)22-8-3-1-2-4-9-23(22)36-28(25)33/h5-7,12-17,24,30-31H,1-4,8-11H2,(H2,29,32)
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1.90n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1503
PNG
(4-Cyano-N-[3-[1-(5,6,7,8,9,10-hexahydro-4-hydroxy-...)
Show SMILES CCCCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C29H32N2O5S/c1-2-3-11-24(27-28(32)25-12-6-4-5-7-13-26(25)36-29(27)33)21-9-8-10-22(18-21)31-37(34,35)23-16-14-20(19-30)15-17-23/h8-10,14-18,24,31-32H,2-7,11-13H2,1H3
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2.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1513
PNG
(N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...)
Show SMILES CCCC(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C30H32N2O5S/c1-2-10-23(27-29(33)24-15-5-3-4-6-16-25(24)37-30(27)34)21-12-7-14-22(19-21)32-38(35,36)26-17-8-11-20-13-9-18-31-28(20)26/h7-9,11-14,17-19,23,32-33H,2-6,10,15-16H2,1H3
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2.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1463
PNG
(4-bromo-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C27H28BrNO5S/c28-19-12-14-21(15-13-19)35(32,33)29-20-7-5-6-18(16-20)24(17-10-11-17)25-26(30)22-8-3-1-2-4-9-23(22)34-27(25)31/h5-7,12-17,24,29-30H,1-4,8-11H2
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2.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1506
PNG
(4-fluoro-N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9...)
Show SMILES CCCC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C27H30FNO5S/c1-2-8-22(25-26(30)23-11-5-3-4-6-12-24(23)34-27(25)31)18-9-7-10-20(17-18)29-35(32,33)21-15-13-19(28)14-16-21/h7,9-10,13-17,22,29-30H,2-6,8,11-12H2,1H3
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2.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1454
PNG
(3-amino-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...)
Show SMILES Nc1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C27H30N2O5S/c28-19-8-6-10-21(16-19)35(32,33)29-20-9-5-7-18(15-20)24(17-13-14-17)25-26(30)22-11-3-1-2-4-12-23(22)34-27(25)31/h5-10,15-17,24,29-30H,1-4,11-14,28H2
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2.30 -48.8n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1462
PNG
(4-chloro-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C27H28ClNO5S/c28-19-12-14-21(15-13-19)35(32,33)29-20-7-5-6-18(16-20)24(17-10-11-17)25-26(30)22-8-3-1-2-4-9-23(22)34-27(25)31/h5-7,12-17,24,29-30H,1-4,8-11H2
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2.5n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1449
PNG
(3-bromo-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1
Show InChI InChI=1S/C27H28BrNO5S/c28-19-8-6-10-21(16-19)35(32,33)29-20-9-5-7-18(15-20)24(17-13-14-17)25-26(30)22-11-3-1-2-4-12-23(22)34-27(25)31/h5-10,15-17,24,29-30H,1-4,11-14H2
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2.60 -48.5n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1475
PNG
(4-azido-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)N=[N+]=[N-])c1
Show InChI InChI=1S/C27H28N4O5S/c28-31-29-19-12-14-21(15-13-19)37(34,35)30-20-7-5-6-18(16-20)24(17-10-11-17)25-26(32)22-8-3-1-2-4-9-23(22)36-27(25)33/h5-7,12-17,24,30,32H,1-4,8-11H2
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2.60n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1448
PNG
(3-chloro-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C27H28ClNO5S/c28-19-8-6-10-21(16-19)35(32,33)29-20-9-5-7-18(15-20)24(17-13-14-17)25-26(30)22-11-3-1-2-4-12-23(22)34-27(25)31/h5-10,15-17,24,29-30H,1-4,11-14H2
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2.70 -48.4n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1467
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C27H28N2O7S/c30-26-22-8-3-1-2-4-9-23(22)36-27(31)25(26)24(17-10-11-17)18-6-5-7-19(16-18)28-37(34,35)21-14-12-20(13-15-21)29(32)33/h5-7,12-17,24,28,30H,1-4,8-11H2
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2.70n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1509
PNG
(4-fluoro-N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9...)
Show SMILES CC(C)CC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C28H32FNO5S/c1-18(2)16-24(26-27(31)23-10-5-3-4-6-11-25(23)35-28(26)32)19-8-7-9-21(17-19)30-36(33,34)22-14-12-20(29)13-15-22/h7-9,12-15,17-18,24,30-31H,3-6,10-11,16H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1474
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C29H34N2O5S/c1-31(2)22-14-16-23(17-15-22)37(34,35)30-21-9-7-8-20(18-21)26(19-12-13-19)27-28(32)24-10-5-3-4-6-11-25(24)36-29(27)33/h7-9,14-19,26,30,32H,3-6,10-13H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1450
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C28H28F3NO5S/c29-28(30,31)19-8-6-10-21(16-19)38(35,36)32-20-9-5-7-18(15-20)24(17-13-14-17)25-26(33)22-11-3-1-2-4-12-23(22)37-27(25)34/h5-10,15-17,24,32-33H,1-4,11-14H2
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3 -48.2n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1441
PNG
((E)-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C29H31NO5S/c31-28-24-13-6-1-2-7-14-25(24)35-29(32)27(28)26(21-15-16-21)22-11-8-12-23(19-22)30-36(33,34)18-17-20-9-4-3-5-10-20/h3-5,8-12,17-19,21,26,30-31H,1-2,6-7,13-16H2/b18-17+
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3 -48.2n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1501
PNG
(4-Cyano-N-[3-[1-(5,6,7,8,9,10-hexahydro-4-hydroxy-...)
Show SMILES CCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C27H28N2O5S/c1-2-22(25-26(30)23-10-5-3-4-6-11-24(23)34-27(25)31)19-8-7-9-20(16-19)29-35(32,33)21-14-12-18(17-28)13-15-21/h7-9,12-16,22,29-30H,2-6,10-11H2,1H3
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3.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1461
PNG
(CHEMBL277309 | N-[3-[Cyclopropyl(5,6,7,8,9,10-hexa...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H28FNO5S/c28-19-12-14-21(15-13-19)35(32,33)29-20-7-5-6-18(16-20)24(17-10-11-17)25-26(30)22-8-3-1-2-4-9-23(22)34-27(25)31/h5-7,12-17,24,29-30H,1-4,8-11H2
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3.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1464
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(I)cc2)c1
Show InChI InChI=1S/C27H28INO5S/c28-19-12-14-21(15-13-19)35(32,33)29-20-7-5-6-18(16-20)24(17-10-11-17)25-26(30)22-8-3-1-2-4-9-23(22)34-27(25)31/h5-7,12-17,24,29-30H,1-4,8-11H2
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3.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM763
PNG
(Cyclooctylpyranonesulfonamide deriv. 8b | N-{3-[(S...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1[C@@H](C1CC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
Show InChI InChI=1S/C27H29NO5S/c29-26-22-13-6-1-2-7-14-23(22)33-27(30)25(26)24(18-15-16-18)19-9-8-10-20(17-19)28-34(31,32)21-11-4-3-5-12-21/h3-5,8-12,17-18,24,28-29H,1-2,6-7,13-16H2/t24-/m0/s1
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3.20 -48.0n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM766
PNG
(Cyclooctylpyranonesulfonamide deriv. 8e | N-{3-[cy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C28H31NO5S/c1-18-11-15-22(16-12-18)35(32,33)29-21-8-6-7-20(17-21)25(19-13-14-19)26-27(30)23-9-4-2-3-5-10-24(23)34-28(26)31/h6-8,11-12,15-17,19,25,29-30H,2-5,9-10,13-14H2,1H3
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3.30 -47.9n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1515
PNG
(N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...)
Show SMILES CC(C)CC(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C31H34N2O5S/c1-20(2)18-25(28-30(34)24-14-5-3-4-6-15-26(24)38-31(28)35)22-11-7-13-23(19-22)33-39(36,37)27-16-8-10-21-12-9-17-32-29(21)27/h7-13,16-17,19-20,25,33-34H,3-6,14-15,18H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1498
PNG
(4-chloro-N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9...)
Show SMILES CCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C26H28ClNO5S/c1-2-21(24-25(29)22-10-5-3-4-6-11-23(22)33-26(24)30)17-8-7-9-19(16-17)28-34(31,32)20-14-12-18(27)13-15-20/h7-9,12-16,21,28-29H,2-6,10-11H2,1H3
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3.5n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1440
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)CCc2ccccc2)c1
Show InChI InChI=1S/C29H33NO5S/c31-28-24-13-6-1-2-7-14-25(24)35-29(32)27(28)26(21-15-16-21)22-11-8-12-23(19-22)30-36(33,34)18-17-20-9-4-3-5-10-20/h3-5,8-12,19,21,26,30-31H,1-2,6-7,13-18H2
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3.90 -47.5n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1470
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C28H31NO6S/c1-34-21-13-15-22(16-14-21)36(32,33)29-20-8-6-7-19(17-20)25(18-11-12-18)26-27(30)23-9-4-2-3-5-10-24(23)35-28(26)31/h6-8,13-18,25,29-30H,2-5,9-12H2,1H3
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3.90n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1472
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C28H28F3NO6S/c29-28(30,31)38-20-12-14-21(15-13-20)39(35,36)32-19-7-5-6-18(16-19)24(17-10-11-17)25-26(33)22-8-3-1-2-4-9-23(22)37-27(25)34/h5-7,12-17,24,32-33H,1-4,8-11H2
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4n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1499
PNG
(4-chloro-N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9...)
Show SMILES CCCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C27H30ClNO5S/c1-2-8-22(25-26(30)23-11-5-3-4-6-12-24(23)34-27(25)31)18-9-7-10-20(17-18)29-35(32,33)21-15-13-19(28)14-16-21/h7,9-10,13-17,22,29-30H,2-6,8,11-12H2,1H3
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4n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1480
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C27H27F2NO5S/c28-18-12-13-23(21(29)15-18)36(33,34)30-19-7-5-6-17(14-19)24(16-10-11-16)25-26(31)20-8-3-1-2-4-9-22(20)35-27(25)32/h5-7,12-16,24,30-31H,1-4,8-11H2
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4.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1495
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C31H31NO5S/c33-30-26-12-3-1-2-4-13-27(26)37-31(34)29(30)28(21-14-15-21)23-10-7-11-24(18-23)32-38(35,36)25-17-16-20-8-5-6-9-22(20)19-25/h5-11,16-19,21,28,32-33H,1-4,12-15H2
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4.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1484
PNG
(3,4-dichloro-N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C27H27Cl2NO5S/c28-21-13-12-19(15-22(21)29)36(33,34)30-18-7-5-6-17(14-18)24(16-10-11-16)25-26(31)20-8-3-1-2-4-9-23(20)35-27(25)32/h5-7,12-16,24,30-31H,1-4,8-11H2
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4.10n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1514
PNG
(N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cyc...)
Show SMILES CC(C)C(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C30H32N2O5S/c1-19(2)26(27-29(33)23-14-5-3-4-6-15-24(23)37-30(27)34)21-11-7-13-22(18-21)32-38(35,36)25-16-8-10-20-12-9-17-31-28(20)25/h7-13,16-19,26,32-33H,3-6,14-15H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1452
PNG
(3-({3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H...)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C28H29NO7S/c30-26-22-11-3-1-2-4-12-23(22)36-28(33)25(26)24(17-13-14-17)18-7-5-9-20(15-18)29-37(34,35)21-10-6-8-19(16-21)27(31)32/h5-10,15-17,24,29-30H,1-4,11-14H2,(H,31,32)
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4.5 -47.2n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1451
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C27H28N2O7S/c30-26-22-11-3-1-2-4-12-23(22)36-27(31)25(26)24(17-13-14-17)18-7-5-8-19(15-18)28-37(34,35)21-10-6-9-20(16-21)29(32)33/h5-10,15-17,24,28,30H,1-4,11-14H2
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4.70 -47.1n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1457
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C29H33NO5S/c1-2-19-12-16-23(17-13-19)36(33,34)30-22-9-7-8-21(18-22)26(20-14-15-20)27-28(31)24-10-5-3-4-6-11-25(24)35-29(27)32/h7-9,12-13,16-18,20,26,30-31H,2-6,10-11,14-15H2,1H3
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5 -46.9n/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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM765
PNG
(Cyclooctylpyranonesulfonamide deriv. 8d | N-{3-[cy...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C28H31NO5S/c1-18-8-6-11-22(16-18)35(32,33)29-21-10-7-9-20(17-21)25(19-14-15-19)26-27(30)23-12-4-2-3-5-13-24(23)34-28(26)31/h6-11,16-17,19,25,29-30H,2-5,12-15H2,1H3
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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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1494
PNG
(N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C31H31NO5S/c33-30-25-14-3-1-2-4-15-26(25)37-31(34)29(30)28(21-17-18-21)22-11-7-12-23(19-22)32-38(35,36)27-16-8-10-20-9-5-6-13-24(20)27/h5-13,16,19,21,28,32-33H,1-4,14-15,17-18H2
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5.5n/an/an/an/an/an/an/an/a



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 40: 1149-64 (1997)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2736P28
More data for this
Ligand-Target Pair
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