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65 molecules are shown

Compile data set for download or QSAR
Wt: 640.8
BDBM1246
Wt: 736.8
BDBM50014147
Wt: 580.7
BDBM50005697
Wt: 595.6
BDBM4215
Wt: 799.9
BDBM50368416
Wt: 581.7
BDBM50407043
Wt: 581.7
BDBM50005693
Wt: 766.9
BDBM50009242
Wt: 649.8
BDBM50010501
Wt: 766.9
BDBM50014144
Wt: 766.9
BDBM50014145
Wt: 764.9
BDBM50014146
Wt: 766.9
BDBM50014149
Wt: 764.9
BDBM50014152
Wt: 766.9
BDBM50000753
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 1246,50014147,50005697,4215,50368416,50407043,50005693,50009242,50010501,50014144,50014145,50014146,50014149,50014152,50000753   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50009242
PNG
(CHEMBL48565 | {(S)-1-[(1S,2S,3R,4S)-1-Benzyl-4-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000753
PNG
(CHEMBL300968)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50009242
PNG
(CHEMBL48565 | {(S)-1-[(1S,2S,3R,4S)-1-Benzyl-4-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40+/m0/s1
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<1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition activity against HIV-1 protease


Bioorg Med Chem Lett 5: 1843-1848 (1995)


Article DOI: 10.1016/0960-894X(95)00306-E
BindingDB Entry DOI: 10.7270/Q2KW5G0J
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368416
PNG
(CHEMBL1790876 | CHEMBL3349487)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C43H57N7O8/c1-4-28(2)38(42(56)47-33(39(53)45-3)24-30-17-10-6-11-18-30)49-41(55)35-21-14-22-50(35)26-36(51)32(23-29-15-8-5-9-16-29)46-40(54)34(25-37(44)52)48-43(57)58-27-31-19-12-7-13-20-31/h5-13,15-20,28,32-36,38,51H,4,14,21-27H2,1-3H3,(H2,44,52)(H,45,53)(H,46,54)(H,47,56)(H,48,57)(H,49,55)/t28-,32+,33+,34+,35?,36-,38+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Binding affinity against HIV Protease enzyme.(by Dixon analysis)


J Med Chem 35: 1318-20 (1992)


Article DOI: 10.1021/jm00085a020
BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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57.5 -10.3n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/j.bmcl.2004.08.037
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014149
PNG
(CHEMBL314758 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 protease.


J Med Chem 33: 2687-9 (1990)


Article DOI: 10.1021/jm00172a002
BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014147
PNG
(A-74704 | CHEMBL430891 | {(S)-1-[(1S,3S)-1-Benzyl-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38+,39+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 Protease


J Med Chem 33: 2687-9 (1990)


Article DOI: 10.1021/jm00172a002
BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014152
PNG
(CHEMBL88254 | {1-[1-Benzyl-3-(2-benzyloxycarbonyla...)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C45H56N4O7/c1-31(2)25-39(48-44(53)55-29-35-21-13-7-14-22-35)42(51)46-37(27-33-17-9-5-10-18-33)41(50)38(28-34-19-11-6-12-20-34)47-43(52)40(26-32(3)4)49-45(54)56-30-36-23-15-8-16-24-36/h5-24,31-32,37-41,50H,25-30H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t37-,38-,39-,40+,41?/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 Protease


J Med Chem 33: 2687-9 (1990)


Article DOI: 10.1021/jm00172a002
BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014146
PNG
(CHEMBL90174 | {1-[1-Benzyl-3-(2-benzyloxycarbonyla...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)CC
Show InChI InChI=1S/C45H56N4O7/c1-5-31(3)39(48-44(53)55-29-35-23-15-9-16-24-35)42(51)46-37(27-33-19-11-7-12-20-33)41(50)38(28-34-21-13-8-14-22-34)47-43(52)40(32(4)6-2)49-45(54)56-30-36-25-17-10-18-26-36/h7-26,31-32,37-41,50H,5-6,27-30H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t31-,32-,37-,38-,39-,40+,41?/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 Protease


J Med Chem 33: 2687-9 (1990)


Article DOI: 10.1021/jm00172a002
BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014145
PNG
(CHEMBL314298 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 protease.


J Med Chem 33: 2687-9 (1990)


Article DOI: 10.1021/jm00172a002
BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014147
PNG
(A-74704 | CHEMBL430891 | {(S)-1-[(1S,3S)-1-Benzyl-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38+,39+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 protease


Bioorg Med Chem Lett 4: 653-656 (1994)


Article DOI: 10.1016/S0960-894X(01)80173-6
BindingDB Entry DOI: 10.7270/Q2639PP5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014147
PNG
(A-74704 | CHEMBL430891 | {(S)-1-[(1S,3S)-1-Benzyl-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38+,39+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay


J Med Chem 36: 320-30 (1993)


Article DOI: 10.1021/jm00055a003
BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Inhibitory activity of the Compound was tested against HIV protease enzyme.


J Med Chem 35: 1318-20 (1992)


Article DOI: 10.1021/jm00085a020
BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010501
PNG
(CHEMBL321398 | {1-[1-Benzyl-3-(3-tert-butylcarbamo...)
Show SMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H51N5O6/c1-36(2,3)40-34(45)30-19-26-16-10-11-17-27(26)21-41(30)22-31(42)28(18-24-12-6-4-7-13-24)38-33(44)29(20-32(37)43)39-35(46)47-23-25-14-8-5-9-15-25/h4-9,12-15,26-31,42H,10-11,16-23H2,1-3H3,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)/t26?,27?,28-,29-,30?,31-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50009242
PNG
(CHEMBL48565 | {(S)-1-[(1S,2S,3R,4S)-1-Benzyl-4-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40+/m0/s1
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n/an/a<0.400n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its affinity against HIV-1 protease


J Med Chem 34: 2305-14 (1991)


Article DOI: 10.1021/jm00112a001
BindingDB Entry DOI: 10.7270/Q2862H21
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005693
PNG
(CHEMBL25011 | CHEMBL3349988 | {1-[1-Benzyl-3-(2-te...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H43N5O6/c1-31(2,3)35-29(40)25-15-10-16-36(25)19-26(37)23(17-21-11-6-4-7-12-21)33-28(39)24(18-27(32)38)34-30(41)42-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,37H,10,15-20H2,1-3H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)
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n/an/a 210n/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Inhibitory activity of the Compound was tested against HIV protease enzyme.(value reported by Roche group)


J Med Chem 35: 1318-20 (1992)


Article DOI: 10.1021/jm00085a020
BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50009242
PNG
(CHEMBL48565 | {(S)-1-[(1S,2S,3R,4S)-1-Benzyl-4-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its affinity against HIV-1 protease


J Med Chem 34: 2305-14 (1991)


Article DOI: 10.1021/jm00112a001
BindingDB Entry DOI: 10.7270/Q2862H21
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014144
PNG
(CHEMBL83462 | {(S)-1-[(1S,2R,3R,4S)-1-Benzyl-4-((R...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a<1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 protease


Bioorg Med Chem Lett 4: 653-656 (1994)


Article DOI: 10.1016/S0960-894X(01)80173-6
BindingDB Entry DOI: 10.7270/Q2639PP5
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1246
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 18 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O)C(C)(C)C
Show InChI InChI=1S/C35H52N4O7/c1-7-26(8-2)37-30(42)20-27(35(4,5)6)32(43)36-21-29(41)28(19-24-15-11-9-12-16-24)38-33(44)31(23(3)40)39-34(45)46-22-25-17-13-10-14-18-25/h9-18,23,26-29,31,40-41H,7-8,19-22H2,1-6H3,(H,36,43)(H,37,42)(H,38,44)(H,39,45)/t23?,27-,28-,29+,31-/m0/s1
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n/an/a 8.20n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407043
PNG
(CHEMBL3085516)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H43N5O6/c1-31(2,3)35-29(40)25-15-10-16-36(25)19-26(37)23(17-21-11-6-4-7-12-21)33-28(39)24(18-27(32)38)34-30(41)42-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,37H,10,15-20H2,1-3H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t23-,24-,25-,26-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005697
PNG
(CHEMBL3085539 | {1-[1-Benzyl-3-(2-tert-butylcarbam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H44N4O6/c1-21(2)26(34-31(41)42-20-23-15-10-7-11-16-23)29(39)33-24(19-22-13-8-6-9-14-22)27(37)30(40)36-18-12-17-25(36)28(38)35-32(3,4)5/h6-11,13-16,21,24-27,37H,12,17-20H2,1-5H3,(H,33,39)(H,34,41)(H,35,38)/t24-,25+,26-,27-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50014144
PNG
(CHEMBL83462 | {(S)-1-[(1S,2R,3R,4S)-1-Benzyl-4-((R...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 Protease


J Med Chem 33: 2687-9 (1990)


Article DOI: 10.1021/jm00172a002
BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair