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19 similar compounds to monomer 50406678

Compile data set for download or QSAR
Wt: 575.6
BDBM1193
Wt: 589.7
BDBM1200
Wt: 605.7
BDBM1201
Wt: 616.7
BDBM1203
Wt: 708.8
BDBM1205
Wt: 577.7
BDBM50006831
Wt: 673.7
BDBM50006834
Wt: 459.5
BDBM50006835
Wt: 547.6
BDBM50006825
Wt: 573.6
BDBM50006826
Wt: 585.7
BDBM50283116
Wt: 599.7
BDBM50283117
Wt: 559.6
BDBM50283119
Wt: 599.7
BDBM50283122
Wt: 585.7
BDBM50283123
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 1193,1200,1201,1203,1205,50006831,50006834,50006835,50006825,50006826,50283116,50283117,50283119,50283122,50283123   
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 type 1)
BDBM1205
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 22 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C41H48N4O7/c1-41(2,3)52-40(50)44-33(22-27-12-6-4-7-13-27)37(47)36(38(48)45-35-32-17-11-10-16-31(32)23-34(35)46)42-24-28-18-20-29(21-19-28)25-43-39(49)51-26-30-14-8-5-9-15-30/h4-21,33-37,42,46-47H,22-26H2,1-3H3,(H,43,49)(H,44,50)(H,45,48)/t33-,34+,35-,36+,37+/m0/s1
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19 -10.9n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1193
PNG
((2R,3S,4S,1 S,2 R)-4-[[(1,1-Dimethylethoxy0carbony...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C33H41N3O6/c1-33(2,3)42-32(40)35-26(18-21-10-6-5-7-11-21)30(38)29(34-20-22-14-16-24(41-4)17-15-22)31(39)36-28-25-13-9-8-12-23(25)19-27(28)37/h5-17,26-30,34,37-38H,18-20H2,1-4H3,(H,35,40)(H,36,39)/t26-,27+,28-,29+,30+/m0/s1
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65 -10.2n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1203
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 20 | tert-b...)
Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C35H44N4O6/c1-22(40)36-20-24-14-16-25(17-15-24)21-37-31(33(43)39-30-27-13-9-8-12-26(27)19-29(30)41)32(42)28(18-23-10-6-5-7-11-23)38-34(44)45-35(2,3)4/h5-17,28-32,37,41-42H,18-21H2,1-4H3,(H,36,40)(H,38,44)(H,39,43)/t28-,29+,30-,31+,32+/m0/s1
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70 -10.1 2.60E+3n/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1201
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 18 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C34H43N3O7/c1-34(2,3)44-33(42)36-27(19-22-9-5-4-6-10-22)31(40)30(35-21-23-13-15-25(16-14-23)43-18-17-38)32(41)37-29-26-12-8-7-11-24(26)20-28(29)39/h4-16,27-31,35,38-40H,17-21H2,1-3H3,(H,36,42)(H,37,41)/t27-,28+,29-,30+,31+/m0/s1
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80 -10.1 4.00E+3n/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1200
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 17 | tert-b...)
Show SMILES CCOc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C34H43N3O6/c1-5-42-25-17-15-23(16-18-25)21-35-30(32(40)37-29-26-14-10-9-13-24(26)20-28(29)38)31(39)27(19-22-11-7-6-8-12-22)36-33(41)43-34(2,3)4/h6-18,27-31,35,38-39H,5,19-21H2,1-4H3,(H,36,41)(H,37,40)/t27-,28+,29-,30+,31+/m0/s1
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92 -9.98n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1205
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 22 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C41H48N4O7/c1-41(2,3)52-40(50)44-33(22-27-12-6-4-7-13-27)37(47)36(38(48)45-35-32-17-11-10-16-31(32)23-34(35)46)42-24-28-18-20-29(21-19-28)25-43-39(49)51-26-30-14-8-5-9-15-30/h4-21,33-37,42,46-47H,22-26H2,1-3H3,(H,43,49)(H,44,50)(H,45,48)/t33-,34+,35-,36+,37+/m0/s1
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1.91E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1203
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 20 | tert-b...)
Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C35H44N4O6/c1-22(40)36-20-24-14-16-25(17-15-24)21-37-31(33(43)39-30-27-13-9-8-12-26(27)19-29(30)41)32(42)28(18-23-10-6-5-7-11-23)38-34(44)45-35(2,3)4/h5-17,28-32,37,41-42H,18-21H2,1-4H3,(H,36,40)(H,38,44)(H,39,43)/t28-,29+,30-,31+,32+/m0/s1
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7.08E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1201
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 18 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C34H43N3O7/c1-34(2,3)44-33(42)36-27(19-22-9-5-4-6-10-22)31(40)30(35-21-23-13-15-25(16-14-23)43-18-17-38)32(41)37-29-26-12-8-7-11-24(26)20-28(29)39/h4-16,27-31,35,38-40H,17-21H2,1-3H3,(H,36,42)(H,37,41)/t27-,28+,29-,30+,31+/m0/s1
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7.94E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1200
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 17 | tert-b...)
Show SMILES CCOc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C34H43N3O6/c1-5-42-25-17-15-23(16-18-25)21-35-30(32(40)37-29-26-14-10-9-13-24(26)20-28(29)38)31(39)27(19-22-11-7-6-8-12-22)36-33(41)43-34(2,3)4/h6-18,27-31,35,38-39H,5,19-21H2,1-4H3,(H,36,41)(H,37,40)/t27-,28+,29-,30+,31+/m0/s1
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9.12E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM1193
PNG
((2R,3S,4S,1 S,2 R)-4-[[(1,1-Dimethylethoxy0carbony...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C33H41N3O6/c1-33(2,3)42-32(40)35-26(18-21-10-6-5-7-11-21)30(38)29(34-20-22-14-16-24(41-4)17-15-22)31(39)36-28-25-13-9-8-12-23(25)19-27(28)37/h5-17,26-30,34,37-38H,18-20H2,1-4H3,(H,35,40)(H,36,39)/t26-,27+,28-,29+,30+/m0/s1
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1.48E+11n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283116
PNG
(((S)-1-{(R)-3-Hydroxy-1-[(S)-1-((1S,2R)-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(O)CCN(C1)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C35H43N3O5/c1-34(2,3)43-33(41)36-30(21-25-14-8-5-9-15-25)35(42)18-19-38(23-35)28(20-24-12-6-4-7-13-24)32(40)37-31-27-17-11-10-16-26(27)22-29(31)39/h4-17,28-31,39,42H,18-23H2,1-3H3,(H,36,41)(H,37,40)/t28-,29+,30-,31-,35+/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease


Bioorg Med Chem Lett 4: 2199-2204 (1994)


Article DOI: 10.1016/S0960-894X(00)80071-2
BindingDB Entry DOI: 10.7270/Q2XW4JRZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283117
PNG
(((S)-1-{(S)-3-Hydroxy-1-[(S)-1-((1S,2R)-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CCCN(C1)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C36H45N3O5/c1-35(2,3)44-34(42)37-31(22-26-15-8-5-9-16-26)36(43)19-12-20-39(24-36)29(21-25-13-6-4-7-14-25)33(41)38-32-28-18-11-10-17-27(28)23-30(32)40/h4-11,13-18,29-32,40,43H,12,19-24H2,1-3H3,(H,37,42)(H,38,41)/t29-,30+,31-,32-,36-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease


Bioorg Med Chem Lett 4: 2199-2204 (1994)


Article DOI: 10.1016/S0960-894X(00)80071-2
BindingDB Entry DOI: 10.7270/Q2XW4JRZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283119
PNG
(CHEMBL69604 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(1R,2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)35-26(18-22-12-6-4-7-13-22)29(38)21-34-27(19-23-14-8-5-9-15-23)31(39)36-30-25-17-11-10-16-24(25)20-28(30)37/h4-17,26-30,34,37-38H,18-21H2,1-3H3,(H,35,40)(H,36,39)/t26-,27-,28+,29+,30-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease


Bioorg Med Chem Lett 4: 2199-2204 (1994)


Article DOI: 10.1016/S0960-894X(00)80071-2
BindingDB Entry DOI: 10.7270/Q2XW4JRZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283122
PNG
(((S)-1-{4-Hydroxy-1-[(S)-1-((1S,2R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C1(O)CCN(CC1)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C36H45N3O5/c1-35(2,3)44-34(42)37-31(23-26-14-8-5-9-15-26)36(43)18-20-39(21-19-36)29(22-25-12-6-4-7-13-25)33(41)38-32-28-17-11-10-16-27(28)24-30(32)40/h4-17,29-32,40,43H,18-24H2,1-3H3,(H,37,42)(H,38,41)/t29-,30+,31-,32-/m0/s1
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n/an/a 1.46E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease


Bioorg Med Chem Lett 4: 2199-2204 (1994)


Article DOI: 10.1016/S0960-894X(00)80071-2
BindingDB Entry DOI: 10.7270/Q2XW4JRZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283123
PNG
(((S)-1-{(S)-3-Hydroxy-1-[(S)-1-((1S,2R)-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CCN(C1)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C35H43N3O5/c1-34(2,3)43-33(41)36-30(21-25-14-8-5-9-15-25)35(42)18-19-38(23-35)28(20-24-12-6-4-7-13-24)32(40)37-31-27-17-11-10-16-26(27)22-29(31)39/h4-17,28-31,39,42H,18-23H2,1-3H3,(H,36,41)(H,37,40)/t28-,29+,30-,31-,35-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease


Bioorg Med Chem Lett 4: 2199-2204 (1994)


Article DOI: 10.1016/S0960-894X(00)80071-2
BindingDB Entry DOI: 10.7270/Q2XW4JRZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283119
PNG
(CHEMBL69604 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(1R,2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)35-26(18-22-12-6-4-7-13-22)29(38)21-34-27(19-23-14-8-5-9-15-23)31(39)36-30-25-17-11-10-16-24(25)20-28(30)37/h4-17,26-30,34,37-38H,18-21H2,1-3H3,(H,35,40)(H,36,39)/t26-,27-,28+,29+,30-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease was determined in vitro


J Med Chem 38: 305-17 (1995)

Checked by Author
Article DOI: 10.1021/jm00002a012
BindingDB Entry DOI: 10.7270/Q23T9G8M
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283119
PNG
(CHEMBL69604 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(1R,2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)35-26(18-22-12-6-4-7-13-22)29(38)21-34-27(19-23-14-8-5-9-15-23)31(39)36-30-25-17-11-10-16-24(25)20-28(30)37/h4-17,26-30,34,37-38H,18-21H2,1-3H3,(H,35,40)(H,36,39)/t26-,27-,28+,29+,30-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



Universidad de Alcal£

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 41: 836-52 (1998)


Article DOI: 10.1021/jm970535b
BindingDB Entry DOI: 10.7270/Q21R6RTN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50283119
PNG
(CHEMBL69604 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(1R,2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)35-26(18-22-12-6-4-7-13-22)29(38)21-34-27(19-23-14-8-5-9-15-23)31(39)36-30-25-17-11-10-16-24(25)20-28(30)37/h4-17,26-30,34,37-38H,18-21H2,1-3H3,(H,35,40)(H,36,39)/t26-,27-,28+,29+,30-/m0/s1
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n/an/a 252n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50006835
PNG
(2-(3-Amino-2-hydroxy-4-phenyl-butylamino)-N-(2-hyd...)
Show SMILES N[C@@H](Cc1ccccc1)C(O)CN[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C28H33N3O3/c29-23(15-19-9-3-1-4-10-19)26(33)18-30-24(16-20-11-5-2-6-12-20)28(34)31-27-22-14-8-7-13-21(22)17-25(27)32/h1-14,23-27,30,32-33H,15-18,29H2,(H,31,34)/t23-,24-,25+,26?,27?/m0/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50006834
PNG
((1-{1-Benzyl-2-hydroxy-3-[1-(2-hydroxy-indan-1-ylc...)
Show SMILES CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)CN[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H47N5O7/c1-37(2,3)49-36(48)41-29(21-32(38)45)35(47)40-27(18-23-12-6-4-7-13-23)31(44)22-39-28(19-24-14-8-5-9-15-24)34(46)42-33-26-17-11-10-16-25(26)20-30(33)43/h4-17,27-31,33,39,43-44H,18-22H2,1-3H3,(H2,38,45)(H,40,47)(H,41,48)(H,42,46)/t27-,28-,29?,30+,31?,33?/m0/s1
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n/an/a 295n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50006825
PNG
(CHEMBL431023 | {1-Benzyl-2-hydroxy-3-[1-(2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)CNC(Cc1ccccc1)C(=O)NC(CO)c1ccccc1
Show InChI InChI=1S/C32H41N3O5/c1-32(2,3)40-31(39)35-26(19-23-13-7-4-8-14-23)29(37)21-33-27(20-24-15-9-5-10-16-24)30(38)34-28(22-36)25-17-11-6-12-18-25/h4-18,26-29,33,36-37H,19-22H2,1-3H3,(H,34,38)(H,35,39)/t26-,27?,28?,29?/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50006826
PNG
(2-Amino-N*1*-{1-benzyl-2-hydroxy-3-[1-(2-hydroxy-i...)
Show SMILES NC(CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C32H39N5O5/c33-24(18-29(34)40)31(41)36-25(15-20-9-3-1-4-10-20)28(39)19-35-26(16-21-11-5-2-6-12-21)32(42)37-30-23-14-8-7-13-22(23)17-27(30)38/h1-14,24-28,30,35,38-39H,15-19,33H2,(H2,34,40)(H,36,41)(H,37,42)/t24?,25-,26-,27+,28+,30?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50006831
PNG
(CHEMBL316216 | {1-Benzyl-2-hydroxy-3-[3-(2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC1C(O)Cc2ccccc12
Show InChI InChI=1S/C34H47N3O5/c1-34(2,3)42-33(41)35-27(17-22-11-5-4-6-12-22)30(39)21-37-20-25-15-8-7-13-23(25)18-28(37)32(40)36-31-26-16-10-9-14-24(26)19-29(31)38/h4-6,9-12,14,16,23,25,27-31,38-39H,7-8,13,15,17-21H2,1-3H3,(H,35,41)(H,36,40)/t23-,25+,27-,28-,29?,30+,31?/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair