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19 similar compounds to monomer 104108

Compile data set for download or QSAR
Wt: 550.7
BDBM9261
Wt: 526.6
BDBM104106
Wt: 588.7
BDBM104109
Wt: 524.6
BDBM50288804
Wt: 538.6
BDBM50288805
Wt: 540.6
BDBM50288807
Wt: 539.6
BDBM50288808
Wt: 540.6
BDBM50288809
Wt: 552.7
BDBM50288810
Wt: 539.6
BDBM50288811
Wt: 539.6
BDBM50288812
Wt: 540.6
BDBM50288813
Wt: 524.6
BDBM50288814
Wt: 545.0
BDBM50288815
Wt: 578.6
BDBM50288816
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 9261,104106,104109,50288804,50288805,50288807,50288808,50288809,50288810,50288811,50288812,50288813,50288814,50288815,50288816   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 protease


(Human immunodeficiency virus)
BDBM104106
PNG
(MIT-2-KB-83 (KB-83))
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/s2
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0.140n/an/an/an/an/an/an/an/a



UMBI

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease Q7K mutant by FRET method


J Med Chem 52: 737-54 (2009)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM104106
PNG
(MIT-2-KB-83 (KB-83))
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/s2
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0.141n/an/an/an/an/an/an/an/a



UMBI

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease Q7K mutant by FRET method


J Med Chem 52: 737-54 (2009)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM104106
PNG
(MIT-2-KB-83 (KB-83))
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/s2
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0.194n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease M2


(Human immunodeficiency virus)
BDBM104106
PNG
(MIT-2-KB-83 (KB-83))
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/s2
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0.283n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM104109
PNG
(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C33H36N2O6S/c1-41-29-17-19-30(20-18-29)42(39,40)35(21-9-14-25-10-4-2-5-11-25)24-32(37)31(22-26-12-6-3-7-13-26)34-33(38)27-15-8-16-28(36)23-27/h2-8,10-13,15-20,23,31-32,36-37H,9,14,21-22,24H2,1H3,(H,34,38)/t31-,32+/s2
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0.437n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease M4


(Human immunodeficiency virus)
BDBM104106
PNG
(MIT-2-KB-83 (KB-83))
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/s2
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1.10n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 protease M1


(Human immunodeficiency virus)
BDBM104106
PNG
(MIT-2-KB-83 (KB-83))
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/s2
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1.56n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 protease M3


(Human immunodeficiency virus)
BDBM104106
PNG
(MIT-2-KB-83 (KB-83))
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C28H34N2O6S/c1-20(2)18-30(37(34,35)25-14-12-24(36-3)13-15-25)19-27(32)26(16-21-8-5-4-6-9-21)29-28(33)22-10-7-11-23(31)17-22/h4-15,17,20,26-27,31-32H,16,18-19H2,1-3H3,(H,29,33)/t26-,27+/s2
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2.02n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 protease M2


(Human immunodeficiency virus)
BDBM104109
PNG
(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C33H36N2O6S/c1-41-29-17-19-30(20-18-29)42(39,40)35(21-9-14-25-10-4-2-5-11-25)24-32(37)31(22-26-12-6-3-7-13-26)34-33(38)27-15-8-16-28(36)23-27/h2-8,10-13,15-20,23,31-32,36-37H,9,14,21-22,24H2,1H3,(H,34,38)/t31-,32+/s2
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2.54n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 protease M4


(Human immunodeficiency virus)
BDBM104109
PNG
(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C33H36N2O6S/c1-41-29-17-19-30(20-18-29)42(39,40)35(21-9-14-25-10-4-2-5-11-25)24-32(37)31(22-26-12-6-3-7-13-26)34-33(38)27-15-8-16-28(36)23-27/h2-8,10-13,15-20,23,31-32,36-37H,9,14,21-22,24H2,1H3,(H,34,38)/t31-,32+/s2
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5.89n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 protease M3


(Human immunodeficiency virus)
BDBM104109
PNG
(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C33H36N2O6S/c1-41-29-17-19-30(20-18-29)42(39,40)35(21-9-14-25-10-4-2-5-11-25)24-32(37)31(22-26-12-6-3-7-13-26)34-33(38)27-15-8-16-28(36)23-27/h2-8,10-13,15-20,23,31-32,36-37H,9,14,21-22,24H2,1H3,(H,34,38)/t31-,32+/s2
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23.8n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 protease M1


(Human immunodeficiency virus)
BDBM104109
PNG
(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1
Show InChI InChI=1/C33H36N2O6S/c1-41-29-17-19-30(20-18-29)42(39,40)35(21-9-14-25-10-4-2-5-11-25)24-32(37)31(22-26-12-6-3-7-13-26)34-33(38)27-15-8-16-28(36)23-27/h2-8,10-13,15-20,23,31-32,36-37H,9,14,21-22,24H2,1H3,(H,34,38)/t31-,32+/s2
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42.9n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
BindingDB Entry DOI: 10.7270/Q2R2101Z
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9261
PNG
(2,3-dihydroxy-N-[(1S)-1-((1R)-1-hydroxy-2-{isobuty...)
Show SMILES CCCCCCC[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1/C28H42N2O7S/c1-5-6-7-8-9-12-24(29-28(34)23-11-10-13-25(31)27(23)33)26(32)19-30(18-20(2)3)38(35,36)22-16-14-21(37-4)15-17-22/h10-11,13-17,20,24,26,31-33H,5-9,12,18-19H2,1-4H3,(H,29,34)/t24-,26+/s2
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270 -8.95n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


J Med Chem 48: 3576-85 (2005)


Article DOI: 10.1021/jm050019i
BindingDB Entry DOI: 10.7270/Q2NS0S39
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288807
PNG
(CHEMBL263540 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C29H36N2O6S/c1-20(2)18-31(38(35,36)24-15-13-23(37-4)14-16-24)19-28(33)26(17-22-9-6-5-7-10-22)30-29(34)25-11-8-12-27(32)21(25)3/h5-16,20,26,28,32-33H,17-19H2,1-4H3,(H,30,34)/t26-,28+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against recombinant HIV-1 protease using spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288808
PNG
(3-Amino-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1C
Show InChI InChI=1S/C29H37N3O5S/c1-20(2)18-32(38(35,36)24-15-13-23(37-4)14-16-24)19-28(33)27(17-22-9-6-5-7-10-22)31-29(34)25-11-8-12-26(30)21(25)3/h5-16,20,27-28,33H,17-19,30H2,1-4H3,(H,31,34)/t27-,28+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against recombinant HIV-1 protease using spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288809
PNG
(CHEMBL141398 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1OC
Show InChI InChI=1S/C29H36N2O6S/c1-21(2)19-31(38(34,35)24-16-14-23(36-3)15-17-24)20-27(32)26(18-22-10-6-5-7-11-22)30-29(33)25-12-8-9-13-28(25)37-4/h5-17,21,26-27,32H,18-20H2,1-4H3,(H,30,33)/t26-,27+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease in spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288810
PNG
(CHEMBL139309 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(C)C
Show InChI InChI=1S/C31H40N2O5S/c1-22(2)20-33(39(36,37)26-17-15-25(38-5)16-18-26)21-30(34)29(19-24-11-7-6-8-12-24)32-31(35)28-14-10-9-13-27(28)23(3)4/h6-18,22-23,29-30,34H,19-21H2,1-5H3,(H,32,35)/t29-,30+/m0/s1
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease in spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288811
PNG
(4-Amino-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)cc1C
Show InChI InChI=1S/C29H37N3O5S/c1-20(2)18-32(38(35,36)25-13-11-24(37-4)12-14-25)19-28(33)27(17-22-8-6-5-7-9-22)31-29(34)26-15-10-23(30)16-21(26)3/h5-16,20,27-28,33H,17-19,30H2,1-4H3,(H,31,34)/t27-,28+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against recombinant HIV-1 protease using spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288805
PNG
(CHEMBL343108 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES CCc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H38N2O5S/c1-5-24-13-9-10-14-27(24)30(34)31-28(19-23-11-7-6-8-12-23)29(33)21-32(20-22(2)3)38(35,36)26-17-15-25(37-4)16-18-26/h6-18,22,28-29,33H,5,19-21H2,1-4H3,(H,31,34)/t28-,29+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease in spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288813
PNG
(CHEMBL141002 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)ccc1C
Show InChI InChI=1S/C29H36N2O6S/c1-20(2)18-31(38(35,36)25-14-12-24(37-4)13-15-25)19-28(33)27(16-22-8-6-5-7-9-22)30-29(34)26-17-23(32)11-10-21(26)3/h5-15,17,20,27-28,32-33H,16,18-19H2,1-4H3,(H,30,34)/t27-,28+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against recombinant HIV-1 protease using spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288814
PNG
(CHEMBL341697 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C)c1
Show InChI InChI=1S/C29H36N2O5S/c1-21(2)19-31(37(34,35)26-15-13-25(36-4)14-16-26)20-28(32)27(18-23-10-6-5-7-11-23)30-29(33)24-12-8-9-22(3)17-24/h5-17,21,27-28,32H,18-20H2,1-4H3,(H,30,33)/t27-,28+/m0/s1
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Article
n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease in spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288815
PNG
(CHEMBL344233 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C28H33ClN2O5S/c1-20(2)18-31(37(34,35)23-15-13-22(36-3)14-16-23)19-27(32)26(17-21-9-5-4-6-10-21)30-28(33)24-11-7-8-12-25(24)29/h4-16,20,26-27,32H,17-19H2,1-3H3,(H,30,33)/t26-,27+/m0/s1
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Article
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease in spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288816
PNG
(CHEMBL140653 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H33F3N2O5S/c1-20(2)18-34(40(37,38)23-15-13-22(39-3)14-16-23)19-27(35)26(17-21-9-5-4-6-10-21)33-28(36)24-11-7-8-12-25(24)29(30,31)32/h4-16,20,26-27,35H,17-19H2,1-3H3,(H,33,36)/t26-,27+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease in spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288804
PNG
(CHEMBL139538 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C
Show InChI InChI=1S/C29H36N2O5S/c1-21(2)19-31(37(34,35)25-16-14-24(36-4)15-17-25)20-28(32)27(18-23-11-6-5-7-12-23)30-29(33)26-13-9-8-10-22(26)3/h5-17,21,27-28,32H,18-20H2,1-4H3,(H,30,33)/t27-,28+/m0/s1
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Article
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against recombinant HIV-1 protease using spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288812
PNG
(5-Amino-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N)ccc1C
Show InChI InChI=1S/C29H37N3O5S/c1-20(2)18-32(38(35,36)25-14-12-24(37-4)13-15-25)19-28(33)27(16-22-8-6-5-7-9-22)31-29(34)26-17-23(30)11-10-21(26)3/h5-15,17,20,27-28,33H,16,18-19,30H2,1-4H3,(H,31,34)/t27-,28+/m0/s1
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Article
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against recombinant HIV-1 protease using spectrofluorometric assay


Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair