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PubMed code 8426362

Compile data set for download or QSAR
Found 46 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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50046401
PNG
(CHEMBL432806 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1nccs1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1nccs1)C(C)C
Show InChI InChI=1S/C40H54N8O6S2/c1-25(2)33(45-39(53)47(5)23-31-41-17-19-55-31)37(51)43-29(21-27-13-9-7-10-14-27)35(49)36(50)30(22-28-15-11-8-12-16-28)44-38(52)34(26(3)4)46-40(54)48(6)24-32-42-18-20-56-32/h7-20,25-26,29-30,33-36,49-50H,21-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t29-,30-,33-,34+,35+,36-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046439
PNG
(2N-[1-[1-benzyl-2-hydroxy-3-[1-(1H-2-indolylcarbox...)
Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(C)C
Show InChI InChI=1S/C45H50N6O5/c1-27(2)39(50-42(53)37-25-31-19-11-13-21-33(31)46-37)44(55)48-35(23-29-15-7-5-8-16-29)41(52)36(24-30-17-9-6-10-18-30)49-45(56)40(28(3)4)51-43(54)38-26-32-20-12-14-22-34(32)47-38/h5-22,25-28,35-36,39-41,46-47,52H,23-24H2,1-4H3,(H,48,55)(H,49,56)(H,50,53)(H,51,54)/t35-,36-,39-,40+,41?/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046435
PNG
(1N-[1-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-(4-phe...)
Show SMILES CC(C)[C@H](NC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N1CCN(CC1)c1ccccc1)C(C)C
Show InChI InChI=1S/C50H66N8O6/c1-35(2)43(53-49(63)57-29-25-55(26-30-57)39-21-13-7-14-22-39)47(61)51-41(33-37-17-9-5-10-18-37)45(59)46(60)42(34-38-19-11-6-12-20-38)52-48(62)44(36(3)4)54-50(64)58-31-27-56(28-32-58)40-23-15-8-16-24-40/h5-24,35-36,41-46,59-60H,25-34H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t41-,42-,43-,44+,45+,46-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046422
PNG
(CHEMBL324916 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CCc1cccnc1)C(C)C
Show InChI InChI=1S/C44H56N6O6/c1-29(2)39(49-37(51)21-19-33-17-11-23-45-27-33)43(55)47-35(25-31-13-7-5-8-14-31)41(53)42(54)36(26-32-15-9-6-10-16-32)48-44(56)40(30(3)4)50-38(52)22-20-34-18-12-24-46-28-34/h5-18,23-24,27-30,35-36,39-42,53-54H,19-22,25-26H2,1-4H3,(H,47,55)(H,48,56)(H,49,51)(H,50,52)/t35-,36-,39-,40+,41+,42-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046392
PNG
(2N-[1-[1-benzyl-2-hydroxy-3-[2-methyl-1-(2-quinoly...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)C(C)C
Show InChI InChI=1S/C47H50N6O5/c1-29(2)41(52-44(55)37-25-23-33-19-11-13-21-35(33)48-37)46(57)50-39(27-31-15-7-5-8-16-31)43(54)40(28-32-17-9-6-10-18-32)51-47(58)42(30(3)4)53-45(56)38-26-24-34-20-12-14-22-36(34)49-38/h5-26,29-30,39-43,54H,27-28H2,1-4H3,(H,50,57)(H,51,58)(H,52,55)(H,53,56)/t39-,40-,41-,42+,43?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046428
PNG
(CHEMBL112930 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NS(=O)(=O)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)CCc1ccccn1)C(C)C
Show InChI InChI=1S/C42H56N6O8S2/c1-29(2)37(47-57(53,54)25-21-33-19-11-13-23-43-33)41(51)45-35(27-31-15-7-5-8-16-31)39(49)40(50)36(28-32-17-9-6-10-18-32)46-42(52)38(30(3)4)48-58(55,56)26-22-34-20-12-14-24-44-34/h5-20,23-24,29-30,35-40,47-50H,21-22,25-28H2,1-4H3,(H,45,51)(H,46,52)/t35-,36-,37-,38+,39-,40+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046385
PNG
(CHEMBL331363 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1cccnc1)C(C)C
Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-19-13-21-45-25-33)41(55)47-35(23-31-15-9-7-10-16-31)39(53)40(54)36(24-32-17-11-8-12-18-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-20-14-22-46-26-34/h7-22,25-26,29-30,35-40,53-54H,23-24,27-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38+,39+,40-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046384
PNG
(CHEMBL113575 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38+,39+,40-/m0/s1
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n/an/a 1.66n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046408
PNG
((1-{1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(pyridin-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccncc1)C(C)C
Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-15-19-43-20-16-31)39(51)45-33(23-29-11-7-5-8-12-29)37(49)38(50)34(24-30-13-9-6-10-14-30)46-40(52)36(28(3)4)48-42(54)56-26-32-17-21-44-22-18-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35-,36+,37+,38-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046412
PNG
(CHEMBL113626 | N-{1-Benzyl-2-hydroxy-3-[3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)\C=C\c1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)\C=C\c1cccnc1)C(C)C
Show InChI InChI=1S/C43H50N6O5/c1-29(2)39(48-37(50)21-19-33-17-11-23-44-27-33)42(53)46-35(25-31-13-7-5-8-14-31)41(52)36(26-32-15-9-6-10-16-32)47-43(54)40(30(3)4)49-38(51)22-20-34-18-12-24-45-28-34/h5-24,27-30,35-36,39-41,52H,25-26H2,1-4H3,(H,46,53)(H,47,54)(H,48,50)(H,49,51)/b21-19+,22-20+/t35-,36-,39-,40+,41?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046390
PNG
((1-{1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(pyridin-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccncc1)C(C)C
Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-15-19-43-20-16-31)39(51)45-33(23-29-11-7-5-8-12-29)37(49)38(50)34(24-30-13-9-6-10-14-30)46-40(52)36(28(3)4)48-42(54)56-26-32-17-21-44-22-18-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35-,36+,37-,38+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


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



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046378
PNG
(CHEMBL109371 | {1-[1-Benzyl-3-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C
Show InChI InChI=1S/C42H51N5O7/c1-28(2)36(46-41(51)53-26-32-20-12-7-13-21-32)39(49)44-34(24-30-16-8-5-9-17-30)38(48)35(25-31-18-10-6-11-19-31)45-40(50)37(29(3)4)47-42(52)54-27-33-22-14-15-23-43-33/h5-23,28-29,34-38,48H,24-27H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046407
PNG
(CHEMBL113627 | {1-[1-Benzyl-3-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1cccnc1)C(C)C
Show InChI InChI=1S/C42H51N5O7/c1-28(2)36(46-41(51)53-26-32-19-12-7-13-20-32)39(49)44-34(23-30-15-8-5-9-16-30)38(48)35(24-31-17-10-6-11-18-31)45-40(50)37(29(3)4)47-42(52)54-27-33-21-14-22-43-25-33/h5-22,25,28-29,34-38,48H,23-24,26-27H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046414
PNG
((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(pyridin-2-yl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccn1)C(C)C
Show InChI InChI=1S/C41H50N6O7/c1-27(2)35(46-40(51)53-25-31-19-11-13-21-42-31)38(49)44-33(23-29-15-7-5-8-16-29)37(48)34(24-30-17-9-6-10-18-30)45-39(50)36(28(3)4)47-41(52)54-26-32-20-12-14-22-43-32/h5-22,27-28,33-37,48H,23-26H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t33-,34-,35-,36+,37?/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046416
PNG
(CHEMBL323955 | N-(1-Benzyl-2,3-dihydroxy-4-{3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)CCc1ccccn1)C(C)C
Show InChI InChI=1S/C46H62N8O6/c1-31(2)39(51-45(59)53(5)27-23-35-21-13-15-25-47-35)43(57)49-37(29-33-17-9-7-10-18-33)41(55)42(56)38(30-34-19-11-8-12-20-34)50-44(58)40(32(3)4)52-46(60)54(6)28-24-36-22-14-16-26-48-36/h7-22,25-26,31-32,37-42,55-56H,23-24,27-30H2,1-6H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t37-,38-,39-,40+,41+,42+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046429
PNG
(CHEMBL111957 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)\C=C\c1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)\C=C\c1cccnc1)C(C)C
Show InChI InChI=1S/C44H52N6O6/c1-29(2)39(49-37(51)21-19-33-17-11-23-45-27-33)43(55)47-35(25-31-13-7-5-8-14-31)41(53)42(54)36(26-32-15-9-6-10-16-32)48-44(56)40(30(3)4)50-38(52)22-20-34-18-12-24-46-28-34/h5-24,27-30,35-36,39-42,53-54H,25-26H2,1-4H3,(H,47,55)(H,48,56)(H,49,51)(H,50,52)/b21-19+,22-20+/t35-,36-,39-,40+,41+,42-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046386
PNG
(CHEMBL112578 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NS(=O)(=O)CCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)CCc1ccncc1)C(C)C
Show InChI InChI=1S/C42H56N6O8S2/c1-29(2)37(47-57(53,54)25-19-31-15-21-43-22-16-31)41(51)45-35(27-33-11-7-5-8-12-33)39(49)40(50)36(28-34-13-9-6-10-14-34)46-42(52)38(30(3)4)48-58(55,56)26-20-32-17-23-44-24-18-32/h5-18,21-24,29-30,35-40,47-50H,19-20,25-28H2,1-4H3,(H,45,51)(H,46,52)/t35-,36-,37-,38+,39+,40-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046433
PNG
((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(pyridin-3-yl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1cccnc1)C(C)C
Show InChI InChI=1S/C41H50N6O7/c1-27(2)35(46-40(51)53-25-31-17-11-19-42-23-31)38(49)44-33(21-29-13-7-5-8-14-29)37(48)34(22-30-15-9-6-10-16-30)45-39(50)36(28(3)4)47-41(52)54-26-32-18-12-20-43-24-32/h5-20,23-24,27-28,33-37,48H,21-22,25-26H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t33-,34-,35-,36+,37?/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046380
PNG
(CHEMBL112546 | {1-[1-Benzyl-3-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccncc1)C(C)C
Show InChI InChI=1S/C42H51N5O7/c1-28(2)36(46-41(51)53-26-32-18-12-7-13-19-32)39(49)44-34(24-30-14-8-5-9-15-30)38(48)35(25-31-16-10-6-11-17-31)45-40(50)37(29(3)4)47-42(52)54-27-33-20-22-43-23-21-33/h5-23,28-29,34-38,48H,24-27H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046417
PNG
(3N-[1-[1-benzyl-2-hydroxy-3-[2-methyl-1-(1,2,3,4-t...)
Show SMILES CC(C)[C@H](NC(=O)C1Cc2ccccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C1Cc2ccccc2CN1)C(C)C
Show InChI InChI=1S/C47H58N6O5/c1-29(2)41(52-44(55)39-25-33-19-11-13-21-35(33)27-48-39)46(57)50-37(23-31-15-7-5-8-16-31)43(54)38(24-32-17-9-6-10-18-32)51-47(58)42(30(3)4)53-45(56)40-26-34-20-12-14-22-36(34)28-49-40/h5-22,29-30,37-43,48-49,54H,23-28H2,1-4H3,(H,50,57)(H,51,58)(H,52,55)(H,53,56)/t37-,38-,39?,40?,41-,42+,43?/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046421
PNG
(CHEMBL112846 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CN1CCOCC1)C(C)C
Show InChI InChI=1S/C40H60N6O8/c1-27(2)35(43-33(47)25-45-15-19-53-20-16-45)39(51)41-31(23-29-11-7-5-8-12-29)37(49)38(50)32(24-30-13-9-6-10-14-30)42-40(52)36(28(3)4)44-34(48)26-46-17-21-54-22-18-46/h5-14,27-28,31-32,35-38,49-50H,15-26H2,1-4H3,(H,41,51)(H,42,52)(H,43,47)(H,44,48)/t31-,32-,35-,36+,37+,38-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046381
PNG
(1N-[1-[1-benzyl-4-[1-(4-benzylhexahydro-1-pyraziny...)
Show SMILES CC(C)[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(C)C
Show InChI InChI=1S/C52H70N8O6/c1-37(2)45(55-51(65)59-29-25-57(26-30-59)35-41-21-13-7-14-22-41)49(63)53-43(33-39-17-9-5-10-18-39)47(61)48(62)44(34-40-19-11-6-12-20-40)54-50(64)46(38(3)4)56-52(66)60-31-27-58(28-32-60)36-42-23-15-8-16-24-42/h5-24,37-38,43-48,61-62H,25-36H2,1-4H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)/t43-,44-,45-,46+,47+,48-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046447
PNG
(1N-[1-[1-benzyl-4-[1-(4-benzylhexahydro-1-pyraziny...)
Show SMILES CC(C)[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(C)C
Show InChI InChI=1S/C52H70N8O6/c1-37(2)45(55-51(65)59-29-25-57(26-30-59)35-41-21-13-7-14-22-41)49(63)53-43(33-39-17-9-5-10-18-39)47(61)48(62)44(34-40-19-11-6-12-20-40)54-50(64)46(38(3)4)56-52(66)60-31-27-58(28-32-60)36-42-23-15-8-16-24-42/h5-24,37-38,43-48,61-62H,25-36H2,1-4H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)/t43-,44-,45-,46+,47-,48+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046387
PNG
((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(2-morpholin-...)
Show SMILES CC(C)[C@H](NC(=O)OCCN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C42H57N5O8/c1-29(2)36(45-41(51)54-25-22-47-20-23-53-24-21-47)39(49)43-34(26-31-14-8-5-9-15-31)38(48)35(27-32-16-10-6-11-17-32)44-40(50)37(30(3)4)46-42(52)55-28-33-18-12-7-13-19-33/h5-19,29-30,34-38,48H,20-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t34-,35-,36-,37+,38+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046419
PNG
(CHEMBL114192 | N-{1-Benzyl-2-hydroxy-3-[3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)NCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)NCc1ccccn1)C(C)C
Show InChI InChI=1S/C41H52N8O5/c1-27(2)35(48-40(53)44-25-31-19-11-13-21-42-31)38(51)46-33(23-29-15-7-5-8-16-29)37(50)34(24-30-17-9-6-10-18-30)47-39(52)36(28(3)4)49-41(54)45-26-32-20-12-14-22-43-32/h5-22,27-28,33-37,50H,23-26H2,1-4H3,(H,46,51)(H,47,52)(H2,44,48,53)(H2,45,49,54)/t33-,34-,35-,36+,37?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046383
PNG
(CHEMBL331829 | N-{1-Benzyl-2-hydroxy-3-[3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CCc1ccccn1)C(C)C
Show InChI InChI=1S/C43H54N6O5/c1-29(2)39(48-37(50)23-21-33-19-11-13-25-44-33)42(53)46-35(27-31-15-7-5-8-16-31)41(52)36(28-32-17-9-6-10-18-32)47-43(54)40(30(3)4)49-38(51)24-22-34-20-12-14-26-45-34/h5-20,25-26,29-30,35-36,39-41,52H,21-24,27-28H2,1-4H3,(H,46,53)(H,47,54)(H,48,50)(H,49,51)/t35-,36-,39-,40+,41?/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046443
PNG
(CHEMBL113264 | {1-[1-Benzyl-3-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@H](NC(=O)OCC1CCCN(C)C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H59N5O7/c1-29(2)37(46-42(52)54-27-33-20-13-8-14-21-33)40(50)44-35(24-31-16-9-6-10-17-31)39(49)36(25-32-18-11-7-12-19-32)45-41(51)38(30(3)4)47-43(53)55-28-34-22-15-23-48(5)26-34/h6-14,16-21,29-30,34-39,49H,15,22-28H2,1-5H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53)/t34?,35-,36-,37+,38-,39-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046410
PNG
(CHEMBL110865 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NS(=O)(=O)CCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)CCc1ccncc1)C(C)C
Show InChI InChI=1S/C42H56N6O8S2/c1-29(2)37(47-57(53,54)25-19-31-15-21-43-22-16-31)41(51)45-35(27-33-11-7-5-8-12-33)39(49)40(50)36(28-34-13-9-6-10-14-34)46-42(52)38(30(3)4)48-58(55,56)26-20-32-17-23-44-24-18-32/h5-18,21-24,29-30,35-40,47-50H,19-20,25-28H2,1-4H3,(H,45,51)(H,46,52)/t35-,36-,37-,38+,39-,40+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046406
PNG
((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(2-pyrrolidin...)
Show SMILES CC(C)[C@H](NC(=O)OCCN1CCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C42H57N5O7/c1-29(2)36(45-41(51)53-25-24-47-22-14-15-23-47)39(49)43-34(26-31-16-8-5-9-17-31)38(48)35(27-32-18-10-6-11-19-32)44-40(50)37(30(3)4)46-42(52)54-28-33-20-12-7-13-21-33/h5-13,16-21,29-30,34-38,48H,14-15,22-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t34-,35-,36-,37+,38+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046402
PNG
((1-{1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(2-morpho...)
Show SMILES CC(C)[C@H](NC(=O)OCCN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCCN1CCOCC1)C(C)C
Show InChI InChI=1S/C42H64N6O10/c1-29(2)35(45-41(53)57-25-19-47-15-21-55-22-16-47)39(51)43-33(27-31-11-7-5-8-12-31)37(49)38(50)34(28-32-13-9-6-10-14-32)44-40(52)36(30(3)4)46-42(54)58-26-20-48-17-23-56-24-18-48/h5-14,29-30,33-38,49-50H,15-28H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t33-,34-,35-,36+,37+,38-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046393
PNG
(CHEMBL109220 | N-{1-Benzyl-2-hydroxy-3-[3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CCc1cccnc1)C(C)C
Show InChI InChI=1S/C43H54N6O5/c1-29(2)39(48-37(50)21-19-33-17-11-23-44-27-33)42(53)46-35(25-31-13-7-5-8-14-31)41(52)36(26-32-15-9-6-10-16-32)47-43(54)40(30(3)4)49-38(51)22-20-34-18-12-24-45-28-34/h5-18,23-24,27-30,35-36,39-41,52H,19-22,25-26H2,1-4H3,(H,46,53)(H,47,54)(H,48,50)(H,49,51)/t35-,36-,39-,40+,41?/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046403
PNG
(CHEMBL442010 | N-(1-Benzyl-2,3-dihydroxy-4-{3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)CCc1ccccn1)C(C)C
Show InChI InChI=1S/C46H62N8O6/c1-31(2)39(51-45(59)53(5)27-23-35-21-13-15-25-47-35)43(57)49-37(29-33-17-9-7-10-18-33)41(55)42(56)38(30-34-19-11-8-12-20-34)50-44(58)40(32(3)4)52-46(60)54(6)28-24-36-22-14-16-26-48-36/h7-22,25-26,31-32,37-42,55-56H,23-24,27-30H2,1-6H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t37-,38-,39-,40+,41+,42-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046409
PNG
(CHEMBL109699 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)CCN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CCN1CCOCC1)C(C)C
Show InChI InChI=1S/C42H64N6O8/c1-29(2)37(45-35(49)15-17-47-19-23-55-24-20-47)41(53)43-33(27-31-11-7-5-8-12-31)39(51)40(52)34(28-32-13-9-6-10-14-32)44-42(54)38(30(3)4)46-36(50)16-18-48-21-25-56-26-22-48/h5-14,29-30,33-34,37-40,51-52H,15-28H2,1-4H3,(H,43,53)(H,44,54)(H,45,49)(H,46,50)/t33-,34-,37-,38+,39+,40-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046415
PNG
(CHEMBL322939 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NS(=O)(=O)CCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)CCc1ccncc1)C(C)C
Show InChI InChI=1S/C42H56N6O8S2/c1-29(2)37(47-57(53,54)25-19-31-15-21-43-22-16-31)41(51)45-35(27-33-11-7-5-8-12-33)39(49)40(50)36(28-34-13-9-6-10-14-34)46-42(52)38(30(3)4)48-58(55,56)26-20-32-17-23-44-24-18-32/h5-18,21-24,29-30,35-40,47-50H,19-20,25-28H2,1-4H3,(H,45,51)(H,46,52)/t35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046391
PNG
((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(pyridin-4-yl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccncc1)C(C)C
Show InChI InChI=1S/C41H50N6O7/c1-27(2)35(46-40(51)53-25-31-15-19-42-20-16-31)38(49)44-33(23-29-11-7-5-8-12-29)37(48)34(24-30-13-9-6-10-14-30)45-39(50)36(28(3)4)47-41(52)54-26-32-17-21-43-22-18-32/h5-22,27-28,33-37,48H,23-26H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t33-,34-,35-,36+,37?/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046382
PNG
(CHEMBL411507 | [1-(1-Benzyl-2-hydroxy-3-{3-methyl-...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N1CCN(C)CC1)C(C)C
Show InChI InChI=1S/C41H56N6O6/c1-28(2)35(44-40(51)47-23-21-46(5)22-24-47)38(49)42-33(25-30-15-9-6-10-16-30)37(48)34(26-31-17-11-7-12-18-31)43-39(50)36(29(3)4)45-41(52)53-27-32-19-13-8-14-20-32/h6-20,28-29,33-37,48H,21-27H2,1-5H3,(H,42,49)(H,43,50)(H,44,51)(H,45,52)/t33-,34-,35-,36+,37+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046426
PNG
(CHEMBL263534 | N-(1-Benzyl-2,3-dihydroxy-4-{3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)CCc1ccccn1)C(C)C
Show InChI InChI=1S/C46H62N8O6/c1-31(2)39(51-45(59)53(5)27-23-35-21-13-15-25-47-35)43(57)49-37(29-33-17-9-7-10-18-33)41(55)42(56)38(30-34-19-11-8-12-20-34)50-44(58)40(32(3)4)52-46(60)54(6)28-24-36-22-14-16-26-48-36/h7-22,25-26,31-32,37-42,55-56H,23-24,27-30H2,1-6H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t37-,38-,39-,40+,41-,42+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046376
PNG
(1N-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-methyl(2-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C42H58N8O8S2/c1-29(2)37(47-59(55,56)49(5)27-33-21-13-15-23-43-33)41(53)45-35(25-31-17-9-7-10-18-31)39(51)40(52)36(26-32-19-11-8-12-20-32)46-42(54)38(30(3)4)48-60(57,58)50(6)28-34-22-14-16-24-44-34/h7-24,29-30,35-40,47-48,51-52H,25-28H2,1-6H3,(H,45,53)(H,46,54)/t35-,36-,37-,38+,39-,40+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046389
PNG
(4N-[1-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-(1,4-o...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N1CCOCC1)C(C)C
Show InChI InChI=1S/C38H56N6O8/c1-25(2)31(41-37(49)43-15-19-51-20-16-43)35(47)39-29(23-27-11-7-5-8-12-27)33(45)34(46)30(24-28-13-9-6-10-14-28)40-36(48)32(26(3)4)42-38(50)44-17-21-52-22-18-44/h5-14,25-26,29-34,45-46H,15-24H2,1-4H3,(H,39,47)(H,40,48)(H,41,49)(H,42,50)/t29-,30-,31-,32+,33-,34+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046400
PNG
(CHEMBL113554 | N-{1-Benzyl-2-hydroxy-3-[3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C43H56N8O5/c1-29(2)37(48-42(55)50(5)27-33-21-13-15-23-44-33)40(53)46-35(25-31-17-9-7-10-18-31)39(52)36(26-32-19-11-8-12-20-32)47-41(54)38(30(3)4)49-43(56)51(6)28-34-22-14-16-24-45-34/h7-24,29-30,35-39,52H,25-28H2,1-6H3,(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t35-,36-,37-,38+,39?/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046444
PNG
(CHEMBL110603 | {1-[1-Benzyl-3-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@H](NC(=O)OCC1CCCCN1C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H59N5O7/c1-29(2)37(46-42(52)54-27-33-21-13-8-14-22-33)40(50)44-35(25-31-17-9-6-10-18-31)39(49)36(26-32-19-11-7-12-20-32)45-41(51)38(30(3)4)47-43(53)55-28-34-23-15-16-24-48(34)5/h6-14,17-22,29-30,34-39,49H,15-16,23-28H2,1-5H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53)/t34?,35-,36-,37+,38-,39-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046437
PNG
(1N-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-methyl(2-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C42H58N8O8S2/c1-29(2)37(47-59(55,56)49(5)27-33-21-13-15-23-43-33)41(53)45-35(25-31-17-9-7-10-18-31)39(51)40(52)36(26-32-19-11-8-12-20-32)46-42(54)38(30(3)4)48-60(57,58)50(6)28-34-22-14-16-24-44-34/h7-24,29-30,35-40,47-48,51-52H,25-28H2,1-6H3,(H,45,53)(H,46,54)/t35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046436
PNG
((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(2-morpholin-...)
Show SMILES CC(C)[C@H](NC(=O)OCCN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCCN1CCOCC1)C(C)C
Show InChI InChI=1S/C41H62N6O9/c1-29(2)35(44-40(51)55-25-19-46-15-21-53-22-16-46)38(49)42-33(27-31-11-7-5-8-12-31)37(48)34(28-32-13-9-6-10-14-32)43-39(50)36(30(3)4)45-41(52)56-26-20-47-17-23-54-24-18-47/h5-14,29-30,33-37,48H,15-28H2,1-4H3,(H,42,49)(H,43,50)(H,44,51)(H,45,52)/t33-,34-,35-,36+,37?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046423
PNG
(1N-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-methyl(2-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C42H58N8O8S2/c1-29(2)37(47-59(55,56)49(5)27-33-21-13-15-23-43-33)41(53)45-35(25-31-17-9-7-10-18-31)39(51)40(52)36(26-32-19-11-8-12-20-32)46-42(54)38(30(3)4)48-60(57,58)50(6)28-34-22-14-16-24-44-34/h7-24,29-30,35-40,47-48,51-52H,25-28H2,1-6H3,(H,45,53)(H,46,54)/t35-,36-,37-,38+,39+,40-/m0/s1
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


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


(Human immunodeficiency virus type 1)
BDBM50046398
PNG
(1N-[1-benzyl-2-hydroxy-3-[2-methyl-1-methyl(2-pyri...)
Show SMILES CC(C)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C41H56N8O7S2/c1-29(2)37(46-57(53,54)48(5)27-33-21-13-15-23-42-33)40(51)44-35(25-31-17-9-7-10-18-31)39(50)36(26-32-19-11-8-12-20-32)45-41(52)38(30(3)4)47-58(55,56)49(6)28-34-22-14-16-24-43-34/h7-24,29-30,35-39,46-47,50H,25-28H2,1-6H3,(H,44,51)(H,45,52)/t35-,36-,37-,38+,39?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 36: 320-30 (1993)


Article DOI: 10.1021/jm00055a003
BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%