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PubMed code 8642565

Compile data set for download or QSAR
Found 36 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)
BDBM1226
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 44 | benzyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C49H56N6O7/c1-49(2,3)44(55-48(61)62-31-35-17-9-5-10-18-35)46(59)53-39(27-32-15-7-4-8-16-32)43(57)42(45(58)54-41-38-22-14-13-19-36(38)28-40(41)56)50-29-33-23-25-34(26-24-33)30-51-47(60)52-37-20-11-6-12-21-37/h4-26,39-44,50,56-57H,27-31H2,1-3H3,(H,53,59)(H,54,58)(H,55,61)(H2,51,52,60)/t39-,40+,41-,42+,43+,44+/m0/s1
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3.30n/a 175n/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)
BDBM964
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 1 | 5PhBuCO...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38-,39-,40+,41+/m0/s1
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3.40 -50.3 25n/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)
BDBM1228
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 46 | benzyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C52H59N7O7/c1-52(2,3)48(59-51(65)66-32-36-16-8-5-9-17-36)50(64)57-41(28-33-14-6-4-7-15-33)47(62)46(49(63)58-45-38-19-11-10-18-37(38)29-42(45)60)54-31-35-24-22-34(23-25-35)30-53-44(61)27-26-43-55-39-20-12-13-21-40(39)56-43/h4-25,41-42,45-48,54,60,62H,26-32H2,1-3H3,(H,53,61)(H,55,56)(H,57,64)(H,58,63)(H,59,65)/t41-,42+,45-,46+,47+,48+/m0/s1
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4.10n/a 161n/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)
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)
BDBM1220
PNG
((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)\C=C\c2ccc(OC)c(O)c2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C44H52N4O8/c1-44(2,3)41(47-37(51)22-18-28-17-21-36(56-5)34(49)24-28)43(54)46-33(23-27-11-7-6-8-12-27)40(52)39(45-26-29-15-19-31(55-4)20-16-29)42(53)48-38-32-14-10-9-13-30(32)25-35(38)50/h6-22,24,33,35,38-41,45,49-50,52H,23,25-26H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/b22-18+/t33-,35+,38-,39+,40+,41+/m0/s1
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5.80n/a 125n/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)
BDBM1215
PNG
((2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(4-methyl-4H...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C39H49N7O6S/c1-39(2,3)35(43-31(48)22-53-38-45-41-23-46(38)4)37(51)42-29(19-24-11-7-6-8-12-24)34(49)33(40-21-25-15-17-27(52-5)18-16-25)36(50)44-32-28-14-10-9-13-26(28)20-30(32)47/h6-18,23,29-30,32-35,40,47,49H,19-22H2,1-5H3,(H,42,51)(H,43,48)(H,44,50)/t29-,30+,32-,33+,34+,35+/m0/s1
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5.80n/a 190n/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)
BDBM1221
PNG
((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(OC)c(O)c2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C44H54N4O8/c1-44(2,3)41(47-37(51)22-18-28-17-21-36(56-5)34(49)24-28)43(54)46-33(23-27-11-7-6-8-12-27)40(52)39(45-26-29-15-19-31(55-4)20-16-29)42(53)48-38-32-14-10-9-13-30(32)25-35(38)50/h6-17,19-21,24,33,35,38-41,45,49-50,52H,18,22-23,25-26H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/t33-,35+,38-,39+,40+,41+/m0/s1
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7.70n/a 88n/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)
BDBM1197
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 12 | tert-b...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C37H48N6O6/c1-23(2)31(34(45)39-22-30-40-27-14-10-11-15-28(27)41-30)43-35(46)32(38-21-25-16-18-26(48-6)19-17-25)33(44)29(20-24-12-8-7-9-13-24)42-36(47)49-37(3,4)5/h7-19,23,29,31-33,38,44H,20-22H2,1-6H3,(H,39,45)(H,40,41)(H,42,47)(H,43,46)/t29-,31-,32+,33+/m0/s1
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7.70 -48.2 510n/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)
BDBM1214
PNG
((2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(5-methyl-1,...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnc(C)s2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C39H48N6O6S2/c1-23-44-45-38(53-23)52-22-31(47)42-35(39(2,3)4)37(50)41-29(19-24-11-7-6-8-12-24)34(48)33(40-21-25-15-17-27(51-5)18-16-25)36(49)43-32-28-14-10-9-13-26(28)20-30(32)46/h6-18,29-30,32-35,40,46,48H,19-22H2,1-5H3,(H,41,50)(H,42,47)(H,43,49)/t29-,30+,32-,33+,34+,35+/m0/s1
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8n/a 178n/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)
BDBM1207
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 24 | benzyl...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C41H48N4O7/c1-26(2)35(45-41(50)52-25-29-14-8-5-9-15-29)39(48)43-33(22-27-12-6-4-7-13-27)38(47)37(42-24-28-18-20-31(51-3)21-19-28)40(49)44-36-32-17-11-10-16-30(32)23-34(36)46/h4-21,26,33-38,42,46-47H,22-25H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)/t33-,34+,35?,36-,37+,38+/m0/s1
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8.10 -48.0 344n/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)
BDBM1209
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 25 | benzyl...)
Show SMILES CCC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OC)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C42H50N4O7/c1-4-27(2)36(46-42(51)53-26-30-15-9-6-10-16-30)40(49)44-34(23-28-13-7-5-8-14-28)39(48)38(43-25-29-19-21-32(52-3)22-20-29)41(50)45-37-33-18-12-11-17-31(33)24-35(37)47/h5-22,27,34-39,43,47-48H,4,23-26H2,1-3H3,(H,44,49)(H,45,50)(H,46,51)/t27?,34-,35+,36?,37-,38+,39+/m0/s1
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8.20 -48.0 1.10E+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)
BDBM1213
PNG
((2R,3R,4S)-4-[(2S)-2-[3-(1H-1,3-benzodiazol-2-yl)p...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C44H52N6O6/c1-44(2,3)41(49-37(52)23-22-36-46-32-16-10-11-17-33(32)47-36)43(55)48-34(24-27-12-6-5-7-13-27)40(53)39(45-26-28-18-20-30(56-4)21-19-28)42(54)50-38-31-15-9-8-14-29(31)25-35(38)51/h5-21,34-35,38-41,45,51,53H,22-26H2,1-4H3,(H,46,47)(H,48,55)(H,49,52)(H,50,54)/t34-,35+,38-,39+,40+,41+/m0/s1
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9.40n/a 98n/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)
BDBM1224
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 42 | benzyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C47H59N5O8/c1-47(2,3)43(51-46(57)60-31-34-14-8-5-9-15-34)45(56)49-38(28-32-12-6-4-7-13-32)42(54)41(44(55)50-40-37-17-11-10-16-35(37)29-39(40)53)48-30-33-18-20-36(21-19-33)59-27-24-52-22-25-58-26-23-52/h4-21,38-43,48,53-54H,22-31H2,1-3H3,(H,49,56)(H,50,55)(H,51,57)/t38-,39+,40-,41+,42+,43+/m0/s1
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9.5n/a 47n/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)
BDBM1208
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 2 | benzyl ...)
Show SMILES COc1ccc(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/C42H50N4O7/c1-42(2,3)38(46-41(51)53-26-29-15-9-6-10-16-29)40(50)44-33(23-27-13-7-5-8-14-27)37(48)36(43-25-28-19-21-31(52-4)22-20-28)39(49)45-35-32-18-12-11-17-30(32)24-34(35)47/h5-22,33-38,43,47-48H,23-26H2,1-4H3,(H,44,50)(H,45,49)(H,46,51)/t33-,34+,35-,36+,37+,38+/m0/s1
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9.5 -47.6 254n/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)
BDBM1227
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 45 | benzyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=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/C50H57N5O8/c1-50(2,3)45(55-49(61)63-32-37-19-11-6-12-20-37)47(59)53-40(27-33-15-7-4-8-16-33)44(57)43(46(58)54-42-39-22-14-13-21-38(39)28-41(42)56)51-29-34-23-25-35(26-24-34)30-52-48(60)62-31-36-17-9-5-10-18-36/h4-26,40-45,51,56-57H,27-32H2,1-3H3,(H,52,60)(H,53,59)(H,54,58)(H,55,61)/t40-,41+,42-,43+,44+,45+/m0/s1
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9.90n/a 142n/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)
BDBM1222
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 40 | benzyl...)
Show SMILES CCOc1ccc(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/C43H52N4O7/c1-5-53-32-22-20-29(21-23-32)26-44-37(40(50)46-36-33-19-13-12-18-31(33)25-35(36)48)38(49)34(24-28-14-8-6-9-15-28)45-41(51)39(43(2,3)4)47-42(52)54-27-30-16-10-7-11-17-30/h6-23,34-39,44,48-49H,5,24-27H2,1-4H3,(H,45,51)(H,46,50)(H,47,52)/t34-,35+,36-,37+,38+,39+/m0/s1
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9.90n/a 256n/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)
BDBM1196
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 11 | tert-b...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)cc1
Show InChI InChI=1S/C40H46N6O6/c1-40(2,3)52-39(50)45-32(23-26-13-7-5-8-14-26)36(47)35(41-24-27-19-21-29(51-4)22-20-27)38(49)46-34(28-15-9-6-10-16-28)37(48)42-25-33-43-30-17-11-12-18-31(30)44-33/h5-22,32,34-36,41,47H,23-25H2,1-4H3,(H,42,48)(H,43,44)(H,45,50)(H,46,49)/t32-,34?,35+,36+/m0/s1
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11 -47.3 380n/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)
BDBM1217
PNG
((2R,3R,4S)-4-[(2S)-2-(1,2-dihydroisoquinolin-2-ylc...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N2Cc3ccccc3C=C2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C44H51N5O6/c1-44(2,3)40(48-43(54)49-23-22-30-14-8-9-16-32(30)27-49)42(53)46-35(24-28-12-6-5-7-13-28)39(51)38(45-26-29-18-20-33(55-4)21-19-29)41(52)47-37-34-17-11-10-15-31(34)25-36(37)50/h5-23,35-40,45,50-51H,24-27H2,1-4H3,(H,46,53)(H,47,52)(H,48,54)/t35-,36+,37-,38+,39+,40+/m0/s1
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12n/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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1218
PNG
((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C43H52N4O7/c1-43(2,3)40(46-36(50)23-20-29-14-9-11-17-34(29)48)42(53)45-33(24-27-12-6-5-7-13-27)39(51)38(44-26-28-18-21-31(54-4)22-19-28)41(52)47-37-32-16-10-8-15-30(32)25-35(37)49/h5-19,21-22,33,35,37-40,44,48-49,51H,20,23-26H2,1-4H3,(H,45,53)(H,46,50)(H,47,52)/t33-,35+,37-,38+,39+,40+/m0/s1
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13n/a 160n/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)
BDBM1216
PNG
((2R,3R,4S)-4-[(2S)-2-{[(2,3-dimethoxyphenyl)carbam...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Nc2cccc(OC)c2OC)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C43H53N5O8/c1-43(2,3)39(48-42(53)46-31-17-12-18-34(55-5)38(31)56-6)41(52)45-32(23-26-13-8-7-9-14-26)37(50)36(44-25-27-19-21-29(54-4)22-20-27)40(51)47-35-30-16-11-10-15-28(30)24-33(35)49/h7-22,32-33,35-37,39,44,49-50H,23-25H2,1-6H3,(H,45,52)(H,47,51)(H2,46,48,53)/t32-,33+,35-,36+,37+,39+/m0/s1
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13n/a 532n/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 -46.5 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)
BDBM1223
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 41 | benzyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=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/C43H52N4O8/c1-43(2,3)39(47-42(53)55-27-30-14-8-5-9-15-30)41(52)45-34(24-28-12-6-4-7-13-28)38(50)37(44-26-29-18-20-32(21-19-29)54-23-22-48)40(51)46-36-33-17-11-10-16-31(33)25-35(36)49/h4-21,34-39,44,48-50H,22-27H2,1-3H3,(H,45,52)(H,46,51)(H,47,53)/t34-,35+,36-,37+,38+,39+/m0/s1
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16n/a 155n/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)
BDBM1219
PNG
((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)\C=C\c2ccc(OC)cc2O)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C44H52N4O8/c1-44(2,3)41(47-37(51)22-18-29-17-21-32(56-5)25-35(29)49)43(54)46-34(23-27-11-7-6-8-12-27)40(52)39(45-26-28-15-19-31(55-4)20-16-28)42(53)48-38-33-14-10-9-13-30(33)24-36(38)50/h6-22,25,34,36,38-41,45,49-50,52H,23-24,26H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/b22-18+/t34-,36+,38-,39+,40+,41+/m0/s1
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18n/a 238n/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)
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 -45.8n/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)
BDBM1210
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 26 | 3-{[(b...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)OCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C40H44N4O9/c1-52-29-18-16-26(17-19-29)23-41-36(39(50)44-35-30-15-9-8-14-28(30)21-33(35)45)37(48)31(20-25-10-4-2-5-11-25)42-38(49)32(22-34(46)47)43-40(51)53-24-27-12-6-3-7-13-27/h2-19,31-33,35-37,41,45,48H,20-24H2,1H3,(H,42,49)(H,43,51)(H,44,50)(H,46,47)/t31-,32?,33+,35-,36+,37+/m0/s1
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22 -45.5n/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)
BDBM1204
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 21 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C40H47N5O6/c1-40(2,3)51-39(50)44-32(22-26-12-6-4-7-13-26)36(47)35(37(48)45-34-31-17-11-10-14-29(31)23-33(34)46)41-24-27-18-20-28(21-19-27)25-42-38(49)43-30-15-8-5-9-16-30/h4-21,32-36,41,46-47H,22-25H2,1-3H3,(H,44,50)(H,45,48)(H2,42,43,49)/t32-,33+,34-,35+,36+/m0/s1
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33 -44.4n/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)
BDBM1206
PNG
((2R,3S,4S,1 S,2 R)-2-[[4-[[[2-(Benzimidazol-2-yl)p...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C43H50N6O6/c1-43(2,3)55-42(54)48-34(23-27-11-5-4-6-12-27)40(52)39(41(53)49-38-31-14-8-7-13-30(31)24-35(38)50)45-26-29-19-17-28(18-20-29)25-44-37(51)22-21-36-46-32-15-9-10-16-33(32)47-36/h4-20,34-35,38-40,45,50,52H,21-26H2,1-3H3,(H,44,51)(H,46,47)(H,48,54)(H,49,53)/t34-,35+,38-,39+,40+/m0/s1
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41 -43.9 4.40E+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 -42.7n/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 -42.5 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 -42.1 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 -41.8n/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)
BDBM1202
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 19 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C38H50N4O7/c1-38(2,3)49-37(46)40-31(23-26-9-5-4-6-10-26)35(44)34(36(45)41-33-30-12-8-7-11-28(30)24-32(33)43)39-25-27-13-15-29(16-14-27)48-22-19-42-17-20-47-21-18-42/h4-16,31-35,39,43-44H,17-25H2,1-3H3,(H,40,46)(H,41,45)/t31-,32+,33-,34+,35+/m0/s1
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130 -40.9n/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)
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1199
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 14 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H48N6O5/c1-41(2,3)52-40(51)47-34(24-28-12-6-4-7-13-28)38(49)37(39(50)44-27-29-14-8-5-9-15-29)43-26-31-20-18-30(19-21-31)25-42-36(48)23-22-35-45-32-16-10-11-17-33(32)46-35/h4-21,34,37-38,43,49H,22-27H2,1-3H3,(H,42,48)(H,44,50)(H,45,46)(H,47,51)/t34-,37+,38+/m0/s1
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680 -36.6n/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)
BDBM1198
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 13 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H41N3O6/c1-32(2,3)41-31(39)35-27(20-23-10-6-4-7-11-23)29(37)28(30(38)34-22-24-12-8-5-9-13-24)33-21-25-14-16-26(17-15-25)40-19-18-36/h4-17,27-29,33,36-37H,18-22H2,1-3H3,(H,34,38)(H,35,39)/t27-,28+,29+/m0/s1
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1.20E+3 -35.2n/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)
BDBM1194
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 9 | tert-bu...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H37N3O4/c1-30(2,3)37-29(36)33-25(19-22-13-7-4-8-14-22)27(34)26(31-20-23-15-9-5-10-16-23)28(35)32-21-24-17-11-6-12-18-24/h4-18,25-27,31,34H,19-21H2,1-3H3,(H,32,35)(H,33,36)/t25-,26+,27+/m0/s1
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2.50E+3 -33.3n/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
* indicates data uncertainty>20%