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PubMed code 16509598

Compile data set for download or QSAR
Found 22 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)
BDBM50183631
PNG
(CHEMBL380970 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1cnccn1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C38H44N6O6/c1-37(2,3)33(42-36(48)50-4)34(46)43-44(23-26-14-16-27(17-15-26)30-22-39-18-19-40-30)24-38(49,21-25-10-6-5-7-11-25)35(47)41-32-29-13-9-8-12-28(29)20-31(32)45/h5-19,22,31-33,45,49H,20-21,23-24H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t31-,32+,33-,38+/m1/s1
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PubMed
2.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50178815
PNG
(((1S)-1-{N'-(4-Bromo-benzyl)-N'-[(2S)-2-hydroxy-2-...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(Br)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183625
PNG
(CHEMBL381588 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1cc2ccccc2s1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C42H46N4O6S/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(25-28-18-20-29(21-19-28)35-23-31-15-9-11-17-34(31)53-35)26-42(51,24-27-12-6-5-7-13-27)39(49)43-36-32-16-10-8-14-30(32)22-33(36)47/h5-21,23,33,36-37,47,51H,22,24-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t33-,36+,37-,42+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183630
PNG
(CHEMBL382473 | {(1S)-1-[N'-[4-(3,5-dimethyl-isoxaz...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1c(C)noc1C)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H47N5O7/c1-24-32(25(2)51-43-24)28-18-16-27(17-19-28)22-44(42-35(46)34(38(3,4)5)41-37(48)50-6)23-39(49,21-26-12-8-7-9-13-26)36(47)40-33-30-15-11-10-14-29(30)20-31(33)45/h7-19,31,33-34,45,49H,20-23H2,1-6H3,(H,40,47)(H,41,48)(H,42,46)/t31-,33+,34-,39+/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183627
PNG
(CHEMBL206467 | methyl(S)-1-(2-((S)-2-benzyl-2-hydr...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1cccnc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-16-18-28(19-17-27)30-14-10-20-40-23-30)25-39(49,22-26-11-6-5-7-12-26)36(47)41-33-31-15-9-8-13-29(31)21-32(33)45/h5-20,23,32-34,45,49H,21-22,24-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1
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5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183629
PNG
(CHEMBL381326 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1ccncc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-14-16-28(17-15-27)29-18-20-40-21-19-29)25-39(49,23-26-10-6-5-7-11-26)36(47)41-33-31-13-9-8-12-30(31)22-32(33)45/h5-21,32-34,45,49H,22-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183624
PNG
(CHEMBL380522 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)C#Cc1cccnc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H45N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(26-31-20-17-28(18-21-31)16-19-30-13-10-22-42-25-30)27-41(51,24-29-11-6-5-7-12-29)38(49)43-35-33-15-9-8-14-32(33)23-34(35)47/h5-15,17-18,20-22,25,34-36,47,51H,23-24,26-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41+/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183641
PNG
(CHEMBL436952 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)C#Cc1ccccn1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H45N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(26-30-19-17-28(18-20-30)21-22-32-15-10-11-23-42-32)27-41(51,25-29-12-6-5-7-13-29)38(49)43-35-33-16-9-8-14-31(33)24-34(35)47/h5-20,23,34-36,47,51H,24-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41+/m1/s1
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9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183640
PNG
(CHEMBL205176 | {(1S)-1-[N'-(4-benzo[1,3]dioxol-5-y...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1ccc2OCOc2c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H46N4O8/c1-40(2,3)36(43-39(49)51-4)37(47)44-45(23-27-14-16-28(17-15-27)29-18-19-33-34(21-29)53-25-52-33)24-41(50,22-26-10-6-5-7-11-26)38(48)42-35-31-13-9-8-12-30(31)20-32(35)46/h5-19,21,32,35-36,46,50H,20,22-25H2,1-4H3,(H,42,48)(H,43,49)(H,44,47)/t32-,35+,36-,41+/m1/s1
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11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183643
PNG
(((1S)-1-{N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-i...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(\C=C\c2ccccc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C42H48N4O6/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(27-32-23-21-30(22-24-32)20-19-29-13-7-5-8-14-29)28-42(51,26-31-15-9-6-10-16-31)39(49)43-36-34-18-12-11-17-33(34)25-35(36)47/h5-24,35-37,47,51H,25-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/b20-19+/t35-,36+,37-,42+/m1/s1
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11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183632
PNG
(CHEMBL381770 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1ccccn1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-17-19-28(20-18-27)31-16-10-11-21-40-31)25-39(49,23-26-12-6-5-7-13-26)36(47)41-33-30-15-9-8-14-29(30)22-32(33)45/h5-21,32-34,45,49H,22-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1
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12n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183628
PNG
(CHEMBL381169 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)-c1cccnc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-14-10-16-28(20-27)30-17-11-19-40-23-30)25-39(49,22-26-12-6-5-7-13-26)36(47)41-33-31-18-9-8-15-29(31)21-32(33)45/h5-20,23,32-34,45,49H,21-22,24-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1
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12n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183636
PNG
(((1S)-1-{N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-i...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(\C=C\c2ccccc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C42H48N4O6/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(27-32-19-13-18-30(24-32)23-22-29-14-7-5-8-15-29)28-42(51,26-31-16-9-6-10-17-31)39(49)43-36-34-21-12-11-20-33(34)25-35(36)47/h5-24,35-37,47,51H,25-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/b23-22+/t35-,36+,37-,42+/m1/s1
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14n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183635
PNG
(CHEMBL381168 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)-c1ccccn1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-15-12-17-29(21-27)31-19-10-11-20-40-31)25-39(49,23-26-13-6-5-7-14-26)36(47)41-33-30-18-9-8-16-28(30)22-32(33)45/h5-21,32-34,45,49H,22-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1
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15n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183634
PNG
(CHEMBL437507 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)C#Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C42H46N4O6/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(27-32-23-21-30(22-24-32)20-19-29-13-7-5-8-14-29)28-42(51,26-31-15-9-6-10-16-31)39(49)43-36-34-18-12-11-17-33(34)25-35(36)47/h5-18,21-24,35-37,47,51H,25-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t35-,36+,37-,42+/m1/s1
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15n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183623
PNG
(CHEMBL204055 | {(1S)-1-[N'-(3-bromo-benzyl)-N'-[(2...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(Br)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-13-10-15-25(35)17-23)21-34(44,19-22-11-6-5-7-12-22)31(42)36-28-26-16-9-8-14-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1
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18n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50370706
PNG
(CHEMBL1203922)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)C#Cc1cccnc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H45N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(26-31-15-10-14-28(22-31)19-20-30-16-11-21-42-25-30)27-41(51,24-29-12-6-5-7-13-29)38(49)43-35-33-18-9-8-17-32(33)23-34(35)47/h5-18,21-22,25,34-36,47,51H,23-24,26-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41+/m1/s1
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18n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183633
PNG
(CHEMBL202963 | {(1S)-1-[N'-(biphenyl-4-yl-methyl)-...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C40H46N4O6/c1-39(2,3)35(42-38(48)50-4)36(46)43-44(25-28-19-21-30(22-20-28)29-15-9-6-10-16-29)26-40(49,24-27-13-7-5-8-14-27)37(47)41-34-32-18-12-11-17-31(32)23-33(34)45/h5-22,33-35,45,49H,23-26H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t33-,34+,35-,40+/m1/s1
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20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183639
PNG
(CHEMBL382131 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)C#Cc1ccccn1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H45N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(26-30-16-12-15-28(23-30)20-21-32-18-10-11-22-42-32)27-41(51,25-29-13-6-5-7-14-29)38(49)43-35-33-19-9-8-17-31(33)24-34(35)47/h5-19,22-23,34-36,47,51H,24-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41+/m1/s1
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22n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183638
PNG
(CHEMBL410469 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)C#Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C42H46N4O6/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(27-32-19-13-18-30(24-32)23-22-29-14-7-5-8-15-29)28-42(51,26-31-16-9-6-10-17-31)39(49)43-36-34-21-12-11-20-33(34)25-35(36)47/h5-21,24,35-37,47,51H,25-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t35-,36+,37-,42+/m1/s1
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23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183637
PNG
(CHEMBL383290 | {(1S)-1-[N'-(biphenyl-3-yl-methyl)-...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)-c1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C40H46N4O6/c1-39(2,3)35(42-38(48)50-4)36(46)43-44(25-28-16-13-20-30(22-28)29-17-9-6-10-18-29)26-40(49,24-27-14-7-5-8-15-27)37(47)41-34-32-21-12-11-19-31(32)23-33(34)45/h5-22,33-35,45,49H,23-26H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t33-,34+,35-,40+/m1/s1
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23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50183626
PNG
(CHEMBL382872 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)-c1ccncc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-13-10-15-29(21-27)28-17-19-40-20-18-28)25-39(49,23-26-11-6-5-7-12-26)36(47)41-33-31-16-9-8-14-30(31)22-32(33)45/h5-21,32-34,45,49H,22-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1
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93n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease


J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%