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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'lehr' and Initial = 'p'   
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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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 3.40n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM967
PNG
(5PhBuCOOH deriv. | Statine deriv. 50 | Tle-Val-Sta...)
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](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C46H57N7O7/c1-29(2)38(42(55)48-27-37-49-34-19-13-14-20-35(34)50-37)52-43(56)39(47-26-31-21-23-33(59-6)24-22-31)40(54)36(25-30-15-9-7-10-16-30)51-44(57)41(46(3,4)5)53-45(58)60-28-32-17-11-8-12-18-32/h7-24,29,36,38-41,47,54H,25-28H2,1-6H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t36-,38-,39+,40+,41+/m0/s1
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 4.60n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM969
PNG
((2R,3R,4S)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmeth...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@](C)(O)c2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C47H59N7O7/c1-29(2)38(42(56)49-28-37-50-34-20-14-15-21-35(34)51-37)53-43(57)39(48-27-31-22-24-33(61-7)25-23-31)40(55)36(26-30-16-10-8-11-17-30)52-44(58)41(46(3,4)5)54-45(59)47(6,60)32-18-12-9-13-19-32/h8-25,29,36,38-41,48,55,60H,26-28H2,1-7H3,(H,49,56)(H,50,51)(H,52,58)(H,53,57)(H,54,59)/t36-,38-,39+,40+,41+,47-/m0/s1
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 6n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM926
PNG
(5PhBuCOOH deriv. | Statine deriv. 6 | Tle-Val-Sta ...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C43H53N5O6/c1-29(2)36(40(50)45-27-33-21-13-7-14-22-33)47-42(52)38(44-26-32-19-11-6-12-20-32)39(49)35(25-31-17-9-5-10-18-31)46-41(51)37(30(3)4)48-43(53)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,44,49H,25-28H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)(H,48,53)/t35-,36-,37-,38+,39+/m0/s1
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 6.10 -48.8n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM965
PNG
(5PhBuCOOH deriv. | Statine deriv. 48 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C44H52ClN7O6/c1-27(2)37(41(54)47-25-36-48-33-17-11-12-18-34(33)49-36)51-43(56)39(46-24-30-19-21-32(45)22-20-30)40(53)35(23-29-13-7-5-8-14-29)50-42(55)38(28(3)4)52-44(57)58-26-31-15-9-6-10-16-31/h5-22,27-28,35,37-40,46,53H,23-26H2,1-4H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t35-,37-,38-,39+,40+/m0/s1
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 6.10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM928
PNG
(5PhBuCOOH deriv. | Statine deriv. 8 | Tle-Val-Sta ...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N5O6/c1-28(2)35(39(49)43-26-31-19-11-6-12-20-31)46-41(51)37(44-33-23-15-8-16-24-33)38(48)34(25-30-17-9-5-10-18-30)45-40(50)36(29(3)4)47-42(52)53-27-32-21-13-7-14-22-32/h5-24,28-29,34-38,44,48H,25-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36-,37+,38+/m0/s1
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 6.90 -48.5n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM936
PNG
(5PhBuCOOH deriv. | Statine deriv. 16 | Tle-Val-Sta...)
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)NCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C44H55N5O7/c1-29(2)37(41(51)46-27-32-17-11-7-12-18-32)48-43(53)39(45-26-33-21-23-35(55-5)24-22-33)40(50)36(25-31-15-9-6-10-16-31)47-42(52)38(30(3)4)49-44(54)56-28-34-19-13-8-14-20-34/h6-24,29-30,36-40,45,50H,25-28H2,1-5H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1
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 7.40 -48.3n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM966
PNG
(5PhBuCOOH deriv. | Statine deriv. 49 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C45H54ClN7O6/c1-28(2)37(41(55)48-26-36-49-33-18-12-13-19-34(33)50-36)52-42(56)38(47-25-30-20-22-32(46)23-21-30)39(54)35(24-29-14-8-6-9-15-29)51-43(57)40(45(3,4)5)53-44(58)59-27-31-16-10-7-11-17-31/h6-23,28,35,37-40,47,54H,24-27H2,1-5H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t35-,37-,38+,39+,40+/m0/s1
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 7.5n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM941
PNG
(5PhBuCOOH deriv. | Statine deriv. 21 | Tle-Val-Sta...)
Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C44H55N5O6/c1-5-31(4)38(49-44(54)55-29-35-24-16-9-17-25-35)42(52)47-36(26-32-18-10-6-11-19-32)40(50)39(45-27-33-20-12-7-13-21-33)43(53)48-37(30(2)3)41(51)46-28-34-22-14-8-15-23-34/h6-25,30-31,36-40,45,50H,5,26-29H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t31?,36-,37-,38-,39+,40+/m0/s1
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 8.30 -48.0n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM954
PNG
(5PhBuCOOH deriv. | Statine deriv. 37 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C42H52N6O6/c1-28(2)35(39(50)45-26-32-20-12-7-13-21-32)47-41(52)37(44-25-31-18-10-6-11-19-31)38(49)34(24-30-16-8-5-9-17-30)46-40(51)36(29(3)4)48-42(53)54-27-33-22-14-15-23-43-33/h5-23,28-29,34-38,44,49H,24-27H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-,37+,38+/m0/s1
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 8.60n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM942
PNG
(5PhBuCOOH deriv. | Statine deriv. 22 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C44H55N5O6/c1-30(2)36(40(51)46-28-33-22-14-8-15-23-33)48-41(52)37(45-27-32-20-12-7-13-21-32)38(50)35(26-31-18-10-6-11-19-31)47-42(53)39(44(3,4)5)49-43(54)55-29-34-24-16-9-17-25-34/h6-25,30,35-39,45,50H,26-29H2,1-5H3,(H,46,51)(H,47,53)(H,48,52)(H,49,54)/t35-,36-,37+,38+,39+/m0/s1
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 9.20 -47.7n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM956
PNG
((2R,3R,4S)-4-[(2S)-2-[3-(1H-1,3-benzodiazol-2-yl)p...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C45H55N7O5/c1-29(2)39(43(55)47-28-33-20-12-7-13-21-33)52-45(57)41(46-27-32-18-10-6-11-19-32)42(54)36(26-31-16-8-5-9-17-31)50-44(56)40(30(3)4)51-38(53)25-24-37-48-34-22-14-15-23-35(34)49-37/h5-23,29-30,36,39-42,46,54H,24-28H2,1-4H3,(H,47,55)(H,48,49)(H,50,56)(H,51,53)(H,52,57)/t36-,39-,40-,41+,42+/m0/s1
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 9.90n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM927
PNG
(5PhBuCOOH deriv. | Statine deriv. 7 | Tle-Val-Sta ...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](SCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C43H52N4O6S/c1-29(2)36(40(49)44-26-32-19-11-6-12-20-32)46-42(51)39(54-28-34-23-15-8-16-24-34)38(48)35(25-31-17-9-5-10-18-31)45-41(50)37(30(3)4)47-43(52)53-27-33-21-13-7-14-22-33/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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 10 -47.5n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM957
PNG
((2R,3R,4S)-4-[(2S)-2-{[(1H-1,3-benzodiazol-2-ylmet...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1nc2ccccc2[nH]1)C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C45H56N8O5/c1-29(2)38(42(55)47-27-33-21-13-8-14-22-33)51-44(57)40(46-26-32-19-11-7-12-20-32)41(54)36(25-31-17-9-6-10-18-31)50-43(56)39(30(3)4)52-45(58)53(5)28-37-48-34-23-15-16-24-35(34)49-37/h6-24,29-30,36,38-41,46,54H,25-28H2,1-5H3,(H,47,55)(H,48,49)(H,50,56)(H,51,57)(H,52,58)/t36-,38-,39-,40+,41+/m0/s1
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 10.2n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM955
PNG
((2R,3R,4S)-2-(benzylamino)-N-[(1S)-1-(benzylcarbam...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C45H52N6O5/c1-29(2)38(43(54)47-28-33-20-12-7-13-21-33)51-45(56)40(46-27-32-18-10-6-11-19-32)41(52)37(26-31-16-8-5-9-17-31)49-44(55)39(30(3)4)50-42(53)36-25-24-34-22-14-15-23-35(34)48-36/h5-25,29-30,37-41,46,52H,26-28H2,1-4H3,(H,47,54)(H,49,55)(H,50,53)(H,51,56)/t37-,38-,39-,40+,41+/m0/s1
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 10.2n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM946
PNG
(5PhBuCOOH deriv. | Statine deriv. 26 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C42H50N6O7/c1-28(2)36(40(52)45-26-31-19-11-5-12-20-31)48-41(53)37(44-25-30-17-9-4-10-18-30)38(50)33(23-29-15-7-3-8-16-29)46-39(51)34(24-35(43)49)47-42(54)55-27-32-21-13-6-14-22-32/h3-22,28,33-34,36-38,44,50H,23-27H2,1-2H3,(H2,43,49)(H,45,52)(H,46,51)(H,47,54)(H,48,53)/t33-,34-,36-,37+,38+/m0/s1
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 10.4 -47.4n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM963
PNG
(5PhBuCOOH deriv. | Statine deriv. 46 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C46H56N6O6/c1-30(2)39(43(54)47-25-24-35-28-48-37-23-15-14-22-36(35)37)51-45(56)41(49-27-33-18-10-6-11-19-33)42(53)38(26-32-16-8-5-9-17-32)50-44(55)40(31(3)4)52-46(57)58-29-34-20-12-7-13-21-34/h5-23,28,30-31,38-42,48-49,53H,24-27,29H2,1-4H3,(H,47,54)(H,50,55)(H,51,56)(H,52,57)/t38-,39-,40-,41+,42+/m0/s1
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 10.6n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM960
PNG
(5PhBuCOOH deriv. | Statine deriv. 43 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccn1 |r|
Show InChI InChI=1S/C42H52N6O6/c1-28(2)35(39(50)45-26-33-22-14-15-23-43-33)47-41(52)37(44-25-31-18-10-6-11-19-31)38(49)34(24-30-16-8-5-9-17-30)46-40(51)36(29(3)4)48-42(53)54-27-32-20-12-7-13-21-32/h5-23,28-29,34-38,44,49H,24-27H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-,37+,38+/m0/s1
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 12n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))		BDBM50161121
PNG
(4-(4-Bromo-2,5-dichloro-thiophene-3-sulfonylaminoc...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)c1c(Cl)sc(Cl)c1Br
Show InChI InChI=1S/C15H19BrCl2N2O5S2/c1-15(2,3)25-14(22)20-6-4-8(5-7-20)13(21)19-27(23,24)10-9(16)11(17)26-12(10)18/h8H,4-7H2,1-3H3,(H,19,21)
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 12n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory constant against human Steroid sulfatase

Bioorg Med Chem Lett 15: 1235-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.069
BindingDB Entry DOI: 10.7270/Q2RF5THG
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r,c:36|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM968
PNG
((2R,3R,4S)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmeth...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(O)cc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C47H59N7O7/c1-29(2)40(44(58)49-28-38-50-35-14-10-11-15-36(35)51-38)54-45(59)41(48-27-32-18-23-34(61-6)24-19-32)42(57)37(26-31-12-8-7-9-13-31)52-46(60)43(47(3,4)5)53-39(56)25-20-30-16-21-33(55)22-17-30/h7-19,21-24,29,37,40-43,48,55,57H,20,25-28H2,1-6H3,(H,49,58)(H,50,51)(H,52,60)(H,53,56)(H,54,59)/t37-,40-,41+,42+,43+/m0/s1
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 13n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM961
PNG
(5PhBuCOOH deriv. | Statine deriv. 44 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C44H53N7O6/c1-28(2)37(41(53)46-26-36-47-33-22-14-15-23-34(33)48-36)50-43(55)39(45-25-31-18-10-6-11-19-31)40(52)35(24-30-16-8-5-9-17-30)49-42(54)38(29(3)4)51-44(56)57-27-32-20-12-7-13-21-32/h5-23,28-29,35,37-40,45,52H,24-27H2,1-4H3,(H,46,53)(H,47,48)(H,49,54)(H,50,55)(H,51,56)/t35-,37-,38-,39+,40+/m0/s1
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 13n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [514-612]


(Human immunodeficiency virus type 2)		BDBM966
PNG
(5PhBuCOOH deriv. | Statine deriv. 49 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C45H54ClN7O6/c1-28(2)37(41(55)48-26-36-49-33-18-12-13-19-34(33)50-36)52-42(56)38(47-25-30-20-22-32(46)23-21-30)39(54)35(24-29-14-8-6-9-15-29)51-43(57)40(45(3,4)5)53-44(58)59-27-31-16-10-7-11-17-31/h6-23,28,35,37-40,47,54H,24-27H2,1-5H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t35-,37-,38+,39+,40+/m0/s1
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 17n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM937
PNG
(5PhBuCOOH deriv. | Statine deriv. 17 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C43H52ClN5O6/c1-28(2)36(40(51)46-26-31-16-10-6-11-17-31)48-42(53)38(45-25-32-20-22-34(44)23-21-32)39(50)35(24-30-14-8-5-9-15-30)47-41(52)37(29(3)4)49-43(54)55-27-33-18-12-7-13-19-33/h5-23,28-29,35-39,45,50H,24-27H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t35-,36-,37-,38+,39+/m0/s1
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 17 -46.1n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM943
PNG
(5PhBuCOOH deriv. | Statine deriv. 23 | Tle-Val-Sta...)
Show SMILES CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N5O6/c1-4-34(46-42(52)53-28-33-23-15-8-16-24-33)39(49)45-35(25-30-17-9-5-10-18-30)38(48)37(43-26-31-19-11-6-12-20-31)41(51)47-36(29(2)3)40(50)44-27-32-21-13-7-14-22-32/h5-24,29,34-38,43,48H,4,25-28H2,1-3H3,(H,44,50)(H,45,49)(H,46,52)(H,47,51)/t34-,35-,36-,37+,38+/m0/s1
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 17.1 -46.1n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM952
PNG
(5PhBuCOOH deriv. | Statine deriv. 32 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C44H55N5O6/c1-30(2)36(48-43(54)55-29-34-24-16-9-17-25-34)40(51)47-35(26-31-18-10-6-11-19-31)38(50)37(45-27-32-20-12-7-13-21-32)41(52)49-39(44(3,4)5)42(53)46-28-33-22-14-8-15-23-33/h6-25,30,35-39,45,50H,26-29H2,1-5H3,(H,46,53)(H,47,51)(H,48,54)(H,49,52)/t35-,36-,37+,38+,39+/m0/s1
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 20 -45.7n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



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 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(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 |r|
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
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