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Articleid 50029485

Compile data set for download or QSAR
Found 23 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)
BDBM50284925
PNG
(CHEMBL288759 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)C
Show InChI InChI=1S/C32H49N3O6/c1-30(2,3)32(7,40)28(38)34-24(18-22-14-10-8-11-15-22)26(36)20-33-21-27(37)25(19-23-16-12-9-13-17-23)35-29(39)41-31(4,5)6/h8-17,24-27,33,36-37,40H,18-21H2,1-7H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32+/m0/s1
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Article
24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against HIV protease was determined


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM914
PNG
(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H45N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284924
PNG
(((1S,2R)-1-Benzyl-2-hydroxy-3-{(2R,3S)-2-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1(O)CCCC1(C)C
Show InChI InChI=1S/C33H49N3O6/c1-31(2,3)42-30(40)36-26(20-24-15-10-7-11-16-24)28(38)22-34-21-27(37)25(19-23-13-8-6-9-14-23)35-29(39)33(41)18-12-17-32(33,4)5/h6-11,13-16,25-28,34,37-38,41H,12,17-22H2,1-5H3,(H,35,39)(H,36,40)/t25-,26-,27+,28+,33?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284925
PNG
(CHEMBL288759 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)C
Show InChI InChI=1S/C32H49N3O6/c1-30(2,3)32(7,40)28(38)34-24(18-22-14-10-8-11-15-22)26(36)20-33-21-27(37)25(19-23-16-12-9-13-17-23)35-29(39)41-31(4,5)6/h8-17,24-27,33,36-37,40H,18-21H2,1-7H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284937
PNG
(CHEMBL45838 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(O)C(F)(F)F
Show InChI InChI=1S/C28H38F3N3O6/c1-27(2,3)40-26(39)34-21(15-19-12-8-5-9-13-19)23(36)17-32-16-22(35)20(14-18-10-6-4-7-11-18)33-25(38)24(37)28(29,30)31/h4-13,20-24,32,35-37H,14-17H2,1-3H3,(H,33,38)(H,34,39)/t20-,21-,22+,23+,24?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284929
PNG
(CHEMBL48917 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)C(C)(C)C
Show InChI InChI=1S/C31H47N3O6/c1-30(2,3)27(37)28(38)33-23(17-21-13-9-7-10-14-21)25(35)19-32-20-26(36)24(18-22-15-11-8-12-16-22)34-29(39)40-31(4,5)6/h7-16,23-27,32,35-37H,17-20H2,1-6H3,(H,33,38)(H,34,39)/t23-,24-,25+,26+,27-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284930
PNG
(CHEMBL49305 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(O)(CO)C(C)(C)C
Show InChI InChI=1S/C32H49N3O7/c1-30(2,3)32(41,21-36)28(39)34-24(17-22-13-9-7-10-14-22)26(37)19-33-20-27(38)25(18-23-15-11-8-12-16-23)35-29(40)42-31(4,5)6/h7-16,24-27,33,36-38,41H,17-21H2,1-6H3,(H,34,39)(H,35,40)/t24-,25-,26+,27+,32?/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284932
PNG
(CHEMBL45699 | {(1S,2R)-1-Benzyl-3-[(2R,3S)-3-(2,4-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(C)(O)C(C)(C)CO
Show InChI InChI=1S/C32H49N3O7/c1-30(2,3)42-29(40)35-25(18-23-15-11-8-12-16-23)27(38)20-33-19-26(37)24(17-22-13-9-7-10-14-22)34-28(39)32(6,41)31(4,5)21-36/h7-16,24-27,33,36-38,41H,17-21H2,1-6H3,(H,34,39)(H,35,40)/t24-,25-,26+,27+,32?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM914
PNG
(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H45N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1
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n/an/a 125n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284932
PNG
(CHEMBL45699 | {(1S,2R)-1-Benzyl-3-[(2R,3S)-3-(2,4-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(C)(O)C(C)(C)CO
Show InChI InChI=1S/C32H49N3O7/c1-30(2,3)42-29(40)35-25(18-23-15-11-8-12-16-23)27(38)20-33-19-26(37)24(17-22-13-9-7-10-14-22)34-28(39)32(6,41)31(4,5)21-36/h7-16,24-27,33,36-38,41H,17-21H2,1-6H3,(H,34,39)(H,35,40)/t24-,25-,26+,27+,32?/m0/s1
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284934
PNG
(((1S,2R)-1-Benzyl-2-hydroxy-3-{(2R,3S)-2-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1(O)COCC1(C)C
Show InChI InChI=1S/C32H47N3O7/c1-30(2,3)42-29(39)35-25(17-23-14-10-7-11-15-23)27(37)19-33-18-26(36)24(16-22-12-8-6-9-13-22)34-28(38)32(40)21-41-20-31(32,4)5/h6-15,24-27,33,36-37,40H,16-21H2,1-5H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32?/m0/s1
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against HIV protease was determined


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284924
PNG
(((1S,2R)-1-Benzyl-2-hydroxy-3-{(2R,3S)-2-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1(O)CCCC1(C)C
Show InChI InChI=1S/C33H49N3O6/c1-31(2,3)42-30(40)36-26(20-24-15-10-7-11-16-24)28(38)22-34-21-27(37)25(19-23-13-8-6-9-14-23)35-29(39)33(41)18-12-17-32(33,4)5/h6-11,13-16,25-28,34,37-38,41H,12,17-22H2,1-5H3,(H,35,39)(H,36,40)/t25-,26-,27+,28+,33?/m0/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284935
PNG
(CHEMBL445886 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)c1ccccc1
Show InChI InChI=1S/C34H45N3O6/c1-33(2,3)43-32(41)37-28(21-25-16-10-6-11-17-25)30(39)23-35-22-29(38)27(20-24-14-8-5-9-15-24)36-31(40)34(4,42)26-18-12-7-13-19-26/h5-19,27-30,35,38-39,42H,20-23H2,1-4H3,(H,36,40)(H,37,41)/t27-,28-,29+,30+,34-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284931
PNG
(CHEMBL49773 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C33H43N3O6/c1-33(2,3)42-32(41)36-27(20-24-15-9-5-10-16-24)29(38)22-34-21-28(37)26(19-23-13-7-4-8-14-23)35-31(40)30(39)25-17-11-6-12-18-25/h4-18,26-30,34,37-39H,19-22H2,1-3H3,(H,35,40)(H,36,41)/t26-,27-,28+,29+,30+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284926
PNG
(CHEMBL46020 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)O
Show InChI InChI=1S/C29H43N3O6/c1-28(2,3)38-27(36)32-23(17-21-14-10-7-11-15-21)25(34)19-30-18-24(33)22(31-26(35)29(4,5)37)16-20-12-8-6-9-13-20/h6-15,22-25,30,33-34,37H,16-19H2,1-5H3,(H,31,35)(H,32,36)/t22-,23-,24+,25+/m0/s1
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n/an/a 450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284933
PNG
(CHEMBL48921 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@](C)(O)C(C)(C)C
Show InChI InChI=1S/C32H49N3O6/c1-30(2,3)32(7,40)28(38)34-24(18-22-14-10-8-11-15-22)26(36)20-33-21-27(37)25(19-23-16-12-9-13-17-23)35-29(39)41-31(4,5)6/h8-17,24-27,33,36-37,40H,18-21H2,1-7H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284927
PNG
(CHEMBL297829 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)(C)C
Show InChI InChI=1S/C31H47N3O6/c1-30(2,3)27(37)28(38)33-23(17-21-13-9-7-10-14-21)25(35)19-32-20-26(36)24(18-22-15-11-8-12-16-22)34-29(39)40-31(4,5)6/h7-16,23-27,32,35-37H,17-20H2,1-6H3,(H,33,38)(H,34,39)/t23-,24-,25+,26+,27+/m0/s1
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Article
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284937
PNG
(CHEMBL45838 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(O)C(F)(F)F
Show InChI InChI=1S/C28H38F3N3O6/c1-27(2,3)40-26(39)34-21(15-19-12-8-5-9-13-19)23(36)17-32-16-22(35)20(14-18-10-6-4-7-11-18)33-25(38)24(37)28(29,30)31/h4-13,20-24,32,35-37H,14-17H2,1-3H3,(H,33,38)(H,34,39)/t20-,21-,22+,23+,24?/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284934
PNG
(((1S,2R)-1-Benzyl-2-hydroxy-3-{(2R,3S)-2-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1(O)COCC1(C)C
Show InChI InChI=1S/C32H47N3O7/c1-30(2,3)42-29(39)35-25(17-23-14-10-7-11-15-23)27(37)19-33-18-26(36)24(16-22-12-8-6-9-13-22)34-28(38)32(40)21-41-20-31(32,4)5/h6-15,24-27,33,36-37,40H,16-21H2,1-5H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32?/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM924
PNG
((1S-(1R*,2S*(2S*,3R*)))-[3-[[3-[(3,3-Dimethyl-1-ox...)
Show SMILES CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H47N3O5/c1-30(2,3)19-28(37)33-24(17-22-13-9-7-10-14-22)26(35)20-32-21-27(36)25(18-23-15-11-8-12-16-23)34-29(38)39-31(4,5)6/h7-16,24-27,32,35-36H,17-21H2,1-6H3,(H,33,37)(H,34,38)/t24-,25-,26+,27+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284936
PNG
(CHEMBL48993 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@](C)(O)c1ccccc1
Show InChI InChI=1S/C34H45N3O6/c1-33(2,3)43-32(41)37-28(21-25-16-10-6-11-17-25)30(39)23-35-22-29(38)27(20-24-14-8-5-9-15-24)36-31(40)34(4,42)26-18-12-7-13-19-26/h5-19,27-30,35,38-39,42H,20-23H2,1-4H3,(H,36,40)(H,37,41)/t27-,28-,29+,30+,34+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284928
PNG
(CHEMBL301382 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C33H43N3O6/c1-33(2,3)42-32(41)36-27(20-24-15-9-5-10-16-24)29(38)22-34-21-28(37)26(19-23-13-7-4-8-14-23)35-31(40)30(39)25-17-11-6-12-18-25/h4-18,26-30,34,37-39H,19-22H2,1-3H3,(H,35,40)(H,36,41)/t26-,27-,28+,29+,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50284930
PNG
(CHEMBL49305 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(O)(CO)C(C)(C)C
Show InChI InChI=1S/C32H49N3O7/c1-30(2,3)32(41,21-36)28(39)34-24(17-22-13-9-7-10-14-22)26(37)19-33-20-27(38)25(18-23-15-11-8-12-16-23)35-29(40)42-31(4,5)6/h7-16,24-27,33,36-38,41H,17-21H2,1-6H3,(H,34,39)(H,35,40)/t24-,25-,26+,27+,32?/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of HIV-1 protease.


Bioorg Med Chem Lett 5: 1729-1734 (1995)


Article DOI: 10.1016/0960-894X(95)00293-3
BindingDB Entry DOI: 10.7270/Q2RN37TS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%