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PubMed code 8423599

Compile data set for download or QSAR
Found 26 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)
BDBM486
PNG
((2S)-N-[(2S,3R)-4-[(tert-butylcarbamoyl)(3-methylb...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H46N6O5/c1-22(2)17-18-40(33(45)39-34(3,4)5)21-29(41)27(19-23-11-7-6-8-12-23)37-32(44)28(20-30(35)42)38-31(43)26-16-15-24-13-9-10-14-25(24)36-26/h6-16,22,27-29,41H,17-21H2,1-5H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t27-,28-,29+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM490
PNG
((2S)-N-[(2S,3R)-4-[benzyl(tert-butylcarbamoyl)amin...)
Show SMILES CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)Cc1ccccc1
Show InChI InChI=1S/C36H42N6O5/c1-36(2,3)41-35(47)42(22-25-14-8-5-9-15-25)23-31(43)29(20-24-12-6-4-7-13-24)39-34(46)30(21-32(37)44)40-33(45)28-19-18-26-16-10-11-17-27(26)38-28/h4-19,29-31,43H,20-23H2,1-3H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM488
PNG
((2S)-N-[(2S,3R)-4-[(tert-butylcarbamoyl)(cyclohexy...)
Show SMILES CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1
Show InChI InChI=1S/C36H48N6O5/c1-36(2,3)41-35(47)42(22-25-14-8-5-9-15-25)23-31(43)29(20-24-12-6-4-7-13-24)39-34(46)30(21-32(37)44)40-33(45)28-19-18-26-16-10-11-17-27(26)38-28/h4,6-7,10-13,16-19,25,29-31,43H,5,8-9,14-15,20-23H2,1-3H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM483
PNG
((2S)-N-[(2S,3R)-4-[(tert-butylcarbamoyl)(2-methylp...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM485
PNG
((Hydroxyethyl)urea Isostere deriv. 13 | benzyl N-[...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H47N5O6/c1-22(2)16-17-37(30(41)36-32(3,4)5)20-27(38)25(18-23-12-8-6-9-13-23)34-29(40)26(19-28(33)39)35-31(42)43-21-24-14-10-7-11-15-24/h6-15,22,25-27,38H,16-21H2,1-5H3,(H2,33,39)(H,34,40)(H,35,42)(H,36,41)/t25-,26-,27+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM494
PNG
((2S)-N-[(2S,3R)-4-[(tert-butylcarbamoyl)(pyridin-4...)
Show SMILES CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)Cc1ccncc1
Show InChI InChI=1S/C35H41N7O5/c1-35(2,3)41-34(47)42(21-24-15-17-37-18-16-24)22-30(43)28(19-23-9-5-4-6-10-23)39-33(46)29(20-31(36)44)40-32(45)27-14-13-25-11-7-8-12-26(25)38-27/h4-18,28-30,43H,19-22H2,1-3H3,(H2,36,44)(H,39,46)(H,40,45)(H,41,47)/t28-,29-,30+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM489
PNG
((Hydroxyethyl)urea Isostere deriv. 17 | benzyl N-[...)
Show SMILES CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C34H43N5O6/c1-34(2,3)38-32(43)39(21-25-15-9-5-10-16-25)22-29(40)27(19-24-13-7-4-8-14-24)36-31(42)28(20-30(35)41)37-33(44)45-23-26-17-11-6-12-18-26/h4-18,27-29,40H,19-23H2,1-3H3,(H2,35,41)(H,36,42)(H,37,44)(H,38,43)/t27-,28-,29+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM487
PNG
((Hydroxyethyl)urea Isostere deriv. 15 | benzyl N-[...)
Show SMILES CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C34H49N5O6/c1-34(2,3)38-32(43)39(21-25-15-9-5-10-16-25)22-29(40)27(19-24-13-7-4-8-14-24)36-31(42)28(20-30(35)41)37-33(44)45-23-26-17-11-6-12-18-26/h4,6-8,11-14,17-18,25,27-29,40H,5,9-10,15-16,19-23H2,1-3H3,(H2,35,41)(H,36,42)(H,37,44)(H,38,43)/t27-,28-,29+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM481
PNG
((Hydroxyethyl)urea Isostere deriv. 9 | benzyl N-[(...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N5O6/c1-21(2)18-36(29(40)35-31(3,4)5)19-26(37)24(16-22-12-8-6-9-13-22)33-28(39)25(17-27(32)38)34-30(41)42-20-23-14-10-7-11-15-23/h6-15,21,24-26,37H,16-20H2,1-5H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM493
PNG
((Hydroxyethyl)urea Isostere deriv. 21 | benzyl N-[...)
Show SMILES CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Cc1ccncc1
Show InChI InChI=1S/C33H42N6O6/c1-33(2,3)38-31(43)39(20-24-14-16-35-17-15-24)21-28(40)26(18-23-10-6-4-7-11-23)36-30(42)27(19-29(34)41)37-32(44)45-22-25-12-8-5-9-13-25/h4-17,26-28,40H,18-22H2,1-3H3,(H2,34,41)(H,36,42)(H,37,44)(H,38,43)/t26-,27-,28+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM477
PNG
((2S)-N-[(2S,3R)-4-[(butylcarbamoyl)(2-methylpropyl...)
Show SMILES CCCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C33H44N6O5/c1-4-5-17-35-33(44)39(20-22(2)3)21-29(40)27(18-23-11-7-6-8-12-23)37-32(43)28(19-30(34)41)38-31(42)26-16-15-24-13-9-10-14-25(24)36-26/h6-16,22,27-29,40H,4-5,17-21H2,1-3H3,(H2,34,41)(H,35,44)(H,37,43)(H,38,42)/t27-,28-,29+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM480
PNG
((Hydroxyethyl)urea Isostere deriv. 8 | benzyl N-[(...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C30H43N5O6/c1-20(2)17-35(29(39)32-21(3)4)18-26(36)24(15-22-11-7-5-8-12-22)33-28(38)25(16-27(31)37)34-30(40)41-19-23-13-9-6-10-14-23/h5-14,20-21,24-26,36H,15-19H2,1-4H3,(H2,31,37)(H,32,39)(H,33,38)(H,34,40)/t24-,25-,26+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM479
PNG
((Hydroxyethyl)urea Isostere deriv. 7 | benzyl N-[(...)
Show SMILES CCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H41N5O6/c1-4-31-28(38)34(17-20(2)3)18-25(35)23(15-21-11-7-5-8-12-21)32-27(37)24(16-26(30)36)33-29(39)40-19-22-13-9-6-10-14-22/h5-14,20,23-25,35H,4,15-19H2,1-3H3,(H2,30,36)(H,31,38)(H,32,37)(H,33,39)/t23-,24-,25+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM478
PNG
((Hydroxyethyl)urea Isostere deriv. 6 | benzyl N-[(...)
Show SMILES CCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H43N5O6/c1-4-15-32-29(39)35(18-21(2)3)19-26(36)24(16-22-11-7-5-8-12-22)33-28(38)25(17-27(31)37)34-30(40)41-20-23-13-9-6-10-14-23/h5-14,21,24-26,36H,4,15-20H2,1-3H3,(H2,31,37)(H,32,39)(H,33,38)(H,34,40)/t24-,25-,26+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM476
PNG
((Hydroxyethyl)urea Isostere deriv. 4 | benzyl N-[(...)
Show SMILES CCCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H45N5O6/c1-4-5-16-33-30(40)36(19-22(2)3)20-27(37)25(17-23-12-8-6-9-13-23)34-29(39)26(18-28(32)38)35-31(41)42-21-24-14-10-7-11-15-24/h6-15,22,25-27,37H,4-5,16-21H2,1-3H3,(H2,32,38)(H,33,40)(H,34,39)(H,35,41)/t25-,26-,27+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM475
PNG
((Hydroxyethyl)urea Isostere deriv. 3 | benzyl N-[(...)
Show SMILES CNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H39N5O6/c1-19(2)16-33(27(37)30-3)17-24(34)22(14-20-10-6-4-7-11-20)31-26(36)23(15-25(29)35)32-28(38)39-18-21-12-8-5-9-13-21/h4-13,19,22-24,34H,14-18H2,1-3H3,(H2,29,35)(H,30,37)(H,31,36)(H,32,38)/t22-,23-,24+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM492
PNG
((Hydroxyethyl)urea Isostere deriv. 20 | benzyl N-[...)
Show SMILES C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C35H45N5O6/c1-24(27-18-12-7-13-19-27)40(33(44)39-35(2,3)4)22-30(41)28(20-25-14-8-5-9-15-25)37-32(43)29(21-31(36)42)38-34(45)46-23-26-16-10-6-11-17-26/h5-19,24,28-30,41H,20-23H2,1-4H3,(H2,36,42)(H,37,43)(H,38,45)(H,39,44)/t24-,28-,29-,30+/m0/s1
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n/an/a 5.10E+3n/an/an/an/a6.425



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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM491
PNG
((Hydroxyethyl)urea Isostere deriv. 19 | benzyl N-[...)
Show SMILES C[C@@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C35H45N5O6/c1-24(27-18-12-7-13-19-27)40(33(44)39-35(2,3)4)22-30(41)28(20-25-14-8-5-9-15-25)37-32(43)29(21-31(36)42)38-34(45)46-23-26-16-10-6-11-17-26/h5-19,24,28-30,41H,20-23H2,1-4H3,(H2,36,42)(H,37,43)(H,38,45)(H,39,44)/t24-,28+,29+,30-/m1/s1
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n/an/a 6.50E+3n/an/an/an/a6.425



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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM473
PNG
((Hydroxyethyl)urea Isostere deriv. 1 | benzyl N-[(...)
Show SMILES CNC(=O)N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H33N5O6/c1-27-24(34)30(2)15-21(31)19(13-17-9-5-3-6-10-17)28-23(33)20(14-22(26)32)29-25(35)36-16-18-11-7-4-8-12-18/h3-12,19-21,31H,13-16H2,1-2H3,(H2,26,32)(H,27,34)(H,28,33)(H,29,35)/t19-,20-,21+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM474
PNG
((Hydroxyethyl)urea Isostere deriv. 2 | benzyl N-[(...)
Show SMILES CCCCNC(=O)N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H39N5O6/c1-3-4-15-30-27(37)33(2)18-24(34)22(16-20-11-7-5-8-12-20)31-26(36)23(17-25(29)35)32-28(38)39-19-21-13-9-6-10-14-21/h5-14,22-24,34H,3-4,15-19H2,1-2H3,(H2,29,35)(H,30,37)(H,31,36)(H,32,38)/t22-,23-,24+/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM496
PNG
((Hydroxyethyl)urea Isostere deriv. 24 | benzyl N-[...)
Show SMILES CCCCNC(=O)N(C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H39N5O6/c1-3-4-15-30-27(37)33(2)18-24(34)22(16-20-11-7-5-8-12-20)31-26(36)23(17-25(29)35)32-28(38)39-19-21-13-9-6-10-14-21/h5-14,22-24,34H,3-4,15-19H2,1-2H3,(H2,29,35)(H,30,37)(H,31,36)(H,32,38)/t22-,23-,24-/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM495
PNG
((Hydroxyethyl)urea Isostere deriv. 23 | benzyl N-[...)
Show SMILES CNC(=O)N(C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H33N5O6/c1-27-24(34)30(2)15-21(31)19(13-17-9-5-3-6-10-17)28-23(33)20(14-22(26)32)29-25(35)36-16-18-11-7-4-8-12-18/h3-12,19-21,31H,13-16H2,1-2H3,(H2,26,32)(H,27,34)(H,28,33)(H,29,35)/t19-,20-,21-/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM497
PNG
((Hydroxyethyl)urea Isostere deriv. 25 | benzyl N-[...)
Show SMILES CNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H39N5O6/c1-19(2)16-33(27(37)30-3)17-24(34)22(14-20-10-6-4-7-11-20)31-26(36)23(15-25(29)35)32-28(38)39-18-21-12-8-5-9-13-21/h4-13,19,22-24,34H,14-18H2,1-3H3,(H2,29,35)(H,30,37)(H,31,36)(H,32,38)/t22-,23-,24-/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM498
PNG
((Hydroxyethyl)urea Isostere deriv. 26 | benzyl N-[...)
Show SMILES CCCCNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H45N5O6/c1-4-5-16-33-30(40)36(19-22(2)3)20-27(37)25(17-23-12-8-6-9-13-23)34-29(39)26(18-28(32)38)35-31(41)42-21-24-14-10-7-11-15-24/h6-15,22,25-27,37H,4-5,16-21H2,1-3H3,(H2,32,38)(H,33,40)(H,34,39)(H,35,41)/t25-,26-,27-/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM484
PNG
((2S)-N-[(2S,3S)-4-[(tert-butylcarbamoyl)(2-methylp...)
Show SMILES CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28-/m0/s1
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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM482
PNG
((Hydroxyethyl)urea Isostere deriv. 10 | benzyl N-[...)
Show SMILES CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N5O6/c1-21(2)18-36(29(40)35-31(3,4)5)19-26(37)24(16-22-12-8-6-9-13-22)33-28(39)25(17-27(32)38)34-30(41)42-20-23-14-10-7-11-15-23/h6-15,21,24-26,37H,16-20H2,1-5H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26-/m0/s1
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n/an/a 5.40E+4n/an/an/an/a6.425



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Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%