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9 similar compounds to monomer 50037123

Compile data set for download or QSAR
Wt: 505.6
BDBM50037122
Wt: 491.6
BDBM50037126
Wt: 477.5
BDBM50037127
Wt: 505.6
BDBM50037128
Wt: 463.5
BDBM50037129
Wt: 533.7
BDBM50403345
Wt: 519.6
BDBM50403350
Wt: 539.6
BDBM50403361
Wt: 531.6
BDBM50403362

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50037122,50037126,50037127,50037128,50037129,50403345,50403350,50403361,50403362   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50403345
PNG
(CHEMBL83739)
Show SMILES CCC(CC)C(=O)c1cnc([nH]1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C32H43N3O4/c1-6-24(7-2)29(37)27-21-33-30(34-27)25(18-22-14-10-8-11-15-22)20-28(36)26(19-23-16-12-9-13-17-23)35-31(38)39-32(3,4)5/h8-17,21,24-26,28,36H,6-7,18-20H2,1-5H3,(H,33,34)(H,35,38)/t25-,26+,28+/m1/s1
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 4: 2441-2446 (1994)


Article DOI: 10.1016/S0960-894X(01)80406-6
BindingDB Entry DOI: 10.7270/Q2X63P48
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50403350
PNG
(CHEMBL81190)
Show SMILES CCC(C)C(=O)c1cnc([nH]1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C31H41N3O4/c1-6-21(2)28(36)26-20-32-29(33-26)24(17-22-13-9-7-10-14-22)19-27(35)25(18-23-15-11-8-12-16-23)34-30(37)38-31(3,4)5/h7-16,20-21,24-25,27,35H,6,17-19H2,1-5H3,(H,32,33)(H,34,37)/t21?,24-,25+,27+/m1/s1
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 4: 2441-2446 (1994)


Article DOI: 10.1016/S0960-894X(01)80406-6
BindingDB Entry DOI: 10.7270/Q2X63P48
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037122
PNG
(CHEMBL108016 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-(5...)
Show SMILES CC(C)C(=O)c1cnc([nH]1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C30H39N3O4/c1-20(2)27(35)25-19-31-28(32-25)23(16-21-12-8-6-9-13-21)18-26(34)24(17-22-14-10-7-11-15-22)33-29(36)37-30(3,4)5/h6-15,19-20,23-24,26,34H,16-18H2,1-5H3,(H,31,32)(H,33,36)/t23-,24+,26+/m1/s1
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83n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition constant against recombinant HIV-1 protease


J Med Chem 37: 3100-7 (1994)


Article DOI: 10.1021/jm00045a015
BindingDB Entry DOI: 10.7270/Q2T72GG9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037126
PNG
(CHEMBL80098 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-5-phe...)
Show SMILES CCC(=O)c1cnc([nH]1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O4/c1-5-25(33)24-19-30-27(31-24)22(16-20-12-8-6-9-13-20)18-26(34)23(17-21-14-10-7-11-15-21)32-28(35)36-29(2,3)4/h6-15,19,22-23,26,34H,5,16-18H2,1-4H3,(H,30,31)(H,32,35)/t22-,23+,26+/m1/s1
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92n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition constant against recombinant HIV-1 protease


J Med Chem 37: 3100-7 (1994)


Article DOI: 10.1021/jm00045a015
BindingDB Entry DOI: 10.7270/Q2T72GG9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037126
PNG
(CHEMBL80098 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-5-phe...)
Show SMILES CCC(=O)c1cnc([nH]1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O4/c1-5-25(33)24-19-30-27(31-24)22(16-20-12-8-6-9-13-20)18-26(34)23(17-21-14-10-7-11-15-21)32-28(35)36-29(2,3)4/h6-15,19,22-23,26,34H,5,16-18H2,1-4H3,(H,30,31)(H,32,35)/t22-,23+,26+/m1/s1
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Article
92n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 4: 2441-2446 (1994)


Article DOI: 10.1016/S0960-894X(01)80406-6
BindingDB Entry DOI: 10.7270/Q2X63P48
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50403362
PNG
(CHEMBL312709)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(=O)C1CCCC1
Show InChI InChI=1S/C32H41N3O4/c1-32(2,3)39-31(38)35-26(19-23-14-8-5-9-15-23)28(36)20-25(18-22-12-6-4-7-13-22)30-33-21-27(34-30)29(37)24-16-10-11-17-24/h4-9,12-15,21,24-26,28,36H,10-11,16-20H2,1-3H3,(H,33,34)(H,35,38)/t25-,26+,28+/m1/s1
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 4: 2441-2446 (1994)


Article DOI: 10.1016/S0960-894X(01)80406-6
BindingDB Entry DOI: 10.7270/Q2X63P48
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037128
PNG
(CHEMBL419921 | [(1S,2S,4R)-1-Benzyl-4-(5-butyryl-1...)
Show SMILES CCCC(=O)c1cnc([nH]1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C30H39N3O4/c1-5-12-26(34)25-20-31-28(32-25)23(17-21-13-8-6-9-14-21)19-27(35)24(18-22-15-10-7-11-16-22)33-29(36)37-30(2,3)4/h6-11,13-16,20,23-24,27,35H,5,12,17-19H2,1-4H3,(H,31,32)(H,33,36)/t23-,24+,27+/m1/s1
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150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition constant against recombinant HIV-1 protease


J Med Chem 37: 3100-7 (1994)


Article DOI: 10.1021/jm00045a015
BindingDB Entry DOI: 10.7270/Q2T72GG9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037127
PNG
(CHEMBL104285 | [(1S,2S,4R)-4-(5-Acetyl-1H-imidazol...)
Show SMILES CC(=O)c1cnc([nH]1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O4/c1-19(32)24-18-29-26(30-24)22(15-20-11-7-5-8-12-20)17-25(33)23(16-21-13-9-6-10-14-21)31-27(34)35-28(2,3)4/h5-14,18,22-23,25,33H,15-17H2,1-4H3,(H,29,30)(H,31,34)/t22-,23+,25+/m1/s1
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Article
PubMed
370n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition constant against recombinant HIV-1 protease


J Med Chem 37: 3100-7 (1994)


Article DOI: 10.1021/jm00045a015
BindingDB Entry DOI: 10.7270/Q2T72GG9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037129
PNG
(CHEMBL106776 | [(1S,2S,4R)-1-Benzyl-4-(5-formyl-1H...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc(C=O)[nH]1
Show InChI InChI=1S/C27H33N3O4/c1-27(2,3)34-26(33)30-23(15-20-12-8-5-9-13-20)24(32)16-21(14-19-10-6-4-7-11-19)25-28-17-22(18-31)29-25/h4-13,17-18,21,23-24,32H,14-16H2,1-3H3,(H,28,29)(H,30,33)/t21-,23+,24+/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition constant against recombinant HIV-1 protease


J Med Chem 37: 3100-7 (1994)


Article DOI: 10.1021/jm00045a015
BindingDB Entry DOI: 10.7270/Q2T72GG9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50403361
PNG
(CHEMBL432179)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C33H37N3O4/c1-33(2,3)40-32(39)36-27(20-24-15-9-5-10-16-24)29(37)21-26(19-23-13-7-4-8-14-23)31-34-22-28(35-31)30(38)25-17-11-6-12-18-25/h4-18,22,26-27,29,37H,19-21H2,1-3H3,(H,34,35)(H,36,39)/t26-,27+,29+/m1/s1
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7.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 4: 2441-2446 (1994)


Article DOI: 10.1016/S0960-894X(01)80406-6
BindingDB Entry DOI: 10.7270/Q2X63P48
More data for this
Ligand-Target Pair