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18 similar compounds to monomer 50006834

Compile data set for download or QSAR
Wt: 575.6
BDBM1193
Wt: 616.7
BDBM1203
Wt: 723.8
BDBM1211
Wt: 688.8
BDBM1212
Wt: 763.9
BDBM1225
Wt: 577.7
BDBM50006831
Wt: 573.6
BDBM50006826
Wt: 585.7
BDBM50283116
Wt: 718.8
BDBM50283118
Wt: 559.6
BDBM50283119
Wt: 585.7
BDBM50283123
Wt: 559.6
BDBM50406675
Wt: 575.6
BDBM50406676
Wt: 559.6
BDBM50406677
Wt: 559.6
BDBM50406678
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 1193,1203,1211,1212,1225,50006831,50006826,50283116,50283118,50283119,50283123,50406675,50406676,50406677,50406678   
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)
BDBM1225
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...)
Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C44H53N5O7/c1-28(50)45-25-30-19-21-31(22-20-30)26-46-38(41(53)48-37-34-18-12-11-17-33(34)24-36(37)51)39(52)35(23-29-13-7-5-8-14-29)47-42(54)40(44(2,3)4)49-43(55)56-27-32-15-9-6-10-16-32/h5-22,35-40,46,51-52H,23-27H2,1-4H3,(H,45,50)(H,47,54)(H,48,53)(H,49,55)/t35-,36+,37-,38+,39+,40+/m0/s1
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5.70n/a 99n/an/an/an/an/an/a



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)
BDBM1211
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 27 | benzyl...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C40H45N5O8/c1-52-29-18-16-26(17-19-29)23-42-36(39(50)45-35-30-15-9-8-14-28(30)21-33(35)46)37(48)31(20-25-10-4-2-5-11-25)43-38(49)32(22-34(41)47)44-40(51)53-24-27-12-6-3-7-13-27/h2-19,31-33,35-37,42,46,48H,20-24H2,1H3,(H2,41,47)(H,43,49)(H,44,51)(H,45,50)/t31-,32?,33+,35-,36+,37+/m0/s1
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15 -11.1 1.40E+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)
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)
BDBM1212
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 28 | tert-b...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C39H52N4O7/c1-38(2,3)34(43-37(48)50-39(4,5)6)36(47)41-29(21-24-13-9-8-10-14-24)33(45)32(40-23-25-17-19-27(49-7)20-18-25)35(46)42-31-28-16-12-11-15-26(28)22-30(31)44/h8-20,29-34,40,44-45H,21-23H2,1-7H3,(H,41,47)(H,42,46)(H,43,48)/t29-,30+,31-,32+,33+,34+/m0/s1
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210n/an/an/an/an/an/an/an/a



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)
BDBM1225
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...)
Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C44H53N5O7/c1-28(50)45-25-30-19-21-31(22-20-30)26-46-38(41(53)48-37-34-18-12-11-17-33(34)24-36(37)51)39(52)35(23-29-13-7-5-8-14-29)47-42(54)40(44(2,3)4)49-43(55)56-27-32-15-9-6-10-16-32/h5-22,35-40,46,51-52H,23-27H2,1-4H3,(H,45,50)(H,47,54)(H,48,53)(H,49,55)/t35-,36+,37-,38+,39+,40+/m0/s1
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5.75E+9n/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)
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)
BDBM1212
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 28 | tert-b...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C39H52N4O7/c1-38(2,3)34(43-37(48)50-39(4,5)6)36(47)41-29(21-24-13-9-8-10-14-24)33(45)32(40-23-25-17-19-27(49-7)20-18-25)35(46)42-31-28-16-12-11-15-26(28)22-30(31)44/h8-20,29-34,40,44-45H,21-23H2,1-7H3,(H,41,47)(H,42,46)(H,43,48)/t29-,30+,31-,32+,33+,34+/m0/s1
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2.09E+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)
BDBM50283118
PNG
(CHEMBL273775 | [(S)-1-((S)-1-{(S)-3-Hydroxy-1-[(S)...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=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/C43H50N4O6/c1-29(2)38(46-42(51)53-27-32-18-10-5-11-19-32)41(50)44-37(25-31-16-8-4-9-17-31)43(52)22-23-47(28-43)35(24-30-14-6-3-7-15-30)40(49)45-39-34-21-13-12-20-33(34)26-36(39)48/h3-21,29,35-39,48,52H,22-28H2,1-2H3,(H,44,50)(H,45,49)(H,46,51)/t35-,36+,37-,38-,39-,43-/m0/s1
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n/an/a 220n/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)
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)
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)
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)
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)
BDBM50406676
PNG
(CHEMBL2115206)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C(O)c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H41N3O6/c1-33(2,3)42-32(41)35-25(18-21-12-6-4-7-13-21)27(38)20-34-29(30(39)22-14-8-5-9-15-22)31(40)36-28-24-17-11-10-16-23(24)19-26(28)37/h4-17,25-30,34,37-39H,18-20H2,1-3H3,(H,35,41)(H,36,40)/t25-,26+,27+,28-,29?,30?/m0/s1
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n/an/a 8.50E+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)
BDBM50406677
PNG
(CHEMBL2114200)
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 7.30E+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)
BDBM50406678
PNG
(CHEMBL2115205)
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 2.34E+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)
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50406676
PNG
(CHEMBL2115206)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C(O)c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H41N3O6/c1-33(2,3)42-32(41)35-25(18-21-12-6-4-7-13-21)27(38)20-34-29(30(39)22-14-8-5-9-15-22)31(40)36-28-24-17-11-10-16-23(24)19-26(28)37/h4-17,25-30,34,37-39H,18-20H2,1-3H3,(H,35,41)(H,36,40)/t25-,26+,27+,28-,29?,30?/m0/s1
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n/an/a 8.60E+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)
BDBM50406675
PNG
(CHEMBL2114201)
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 4.70E+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