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5 similar compounds to monomer 186

Compile data set for download or QSAR
Wt: 638.7
BDBM182
Wt: 638.7
BDBM183
Wt: 638.7
BDBM185
Wt: 642.7
BDBM188
Wt: 482.5
BDBM50064601

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 182,183,185,188,50064601   
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)
BDBM182
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(23-27-9-3-1-4-10-27)44(25-29-13-7-15-31(21-29)33-17-19-40-42-33)39(48)45(36(38(37)47)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)34-18-20-41-43-34/h1-22,35-38,46-47H,23-26H2,(H,40,42)(H,41,43)/t35-,36-,37+,38+/m1/s1
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0.0270n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC


J Med Chem 41: 2019-28 (1998)


Article DOI: 10.1021/jm9704199
BindingDB Entry DOI: 10.7270/Q29K49B0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM182
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(23-27-9-3-1-4-10-27)44(25-29-13-7-15-31(21-29)33-17-19-40-42-33)39(48)45(36(38(37)47)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)34-18-20-41-43-34/h1-22,35-38,46-47H,23-26H2,(H,40,42)(H,41,43)/t35-,36-,37+,38+/m1/s1
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0.0270n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
HIV protease inhibition.


Bioorg Med Chem Lett 8: 823-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00119-x
BindingDB Entry DOI: 10.7270/Q2DR2TMP
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM182
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(23-27-9-3-1-4-10-27)44(25-29-13-7-15-31(21-29)33-17-19-40-42-33)39(48)45(36(38(37)47)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)34-18-20-41-43-34/h1-22,35-38,46-47H,23-26H2,(H,40,42)(H,41,43)/t35-,36-,37+,38+/m1/s1
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0.0270 -15.0n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
BindingDB Entry DOI: 10.7270/Q2ZW1J3M
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM182
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(23-27-9-3-1-4-10-27)44(25-29-13-7-15-31(21-29)33-17-19-40-42-33)39(48)45(36(38(37)47)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)34-18-20-41-43-34/h1-22,35-38,46-47H,23-26H2,(H,40,42)(H,41,43)/t35-,36-,37+,38+/m1/s1
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0.0270n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition constant of HIV protease inhibitors


J Med Chem 42: 135-52 (1999)


Article DOI: 10.1021/jm9803626
BindingDB Entry DOI: 10.7270/Q2T154V5
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM185
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2c[nH]cn2)C(=O)N(Cc2cccc(c2)-c2c[nH]cn2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(23-29-13-7-15-31(17-29)33-21-40-25-42-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)24-30-14-8-16-32(18-30)34-22-41-26-43-34/h1-18,21-22,25-26,35-38,46-47H,19-20,23-24H2,(H,40,42)(H,41,43)/t35-,36-,37+,38+/m1/s1
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0.190 -13.8n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
BindingDB Entry DOI: 10.7270/Q2ZW1J3M
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM185
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2c[nH]cn2)C(=O)N(Cc2cccc(c2)-c2c[nH]cn2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(23-29-13-7-15-31(17-29)33-21-40-25-42-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)24-30-14-8-16-32(18-30)34-22-41-26-43-34/h1-18,21-22,25-26,35-38,46-47H,19-20,23-24H2,(H,40,42)(H,41,43)/t35-,36-,37+,38+/m1/s1
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0.190n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC


J Med Chem 41: 2019-28 (1998)


Article DOI: 10.1021/jm9704199
BindingDB Entry DOI: 10.7270/Q29K49B0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50064601
PNG
((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-[3-(2H-...)
Show SMILES O[C@H]1[C@@H](Cc2ccccc2)NC(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@H](Cc2ccccc2)[C@@H]1O
Show InChI InChI=1S/C29H30N4O3/c34-27-25(17-20-8-3-1-4-9-20)31-29(36)33(26(28(27)35)18-21-10-5-2-6-11-21)19-22-12-7-13-23(16-22)24-14-15-30-32-24/h1-16,25-28,34-35H,17-19H2,(H,30,32)(H,31,36)/t25-,26-,27+,28+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC


J Med Chem 41: 2019-28 (1998)


Article DOI: 10.1021/jm9704199
BindingDB Entry DOI: 10.7270/Q29K49B0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM183
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cn[nH]c2)C(=O)N(Cc2cccc(c2)-c2cn[nH]c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(25-29-13-7-15-31(17-29)33-21-40-41-22-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)26-30-14-8-16-32(18-30)34-23-42-43-24-34/h1-18,21-24,35-38,46-47H,19-20,25-26H2,(H,40,41)(H,42,43)/t35-,36-,37+,38+/m1/s1
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0.620n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC


J Med Chem 41: 2019-28 (1998)


Article DOI: 10.1021/jm9704199
BindingDB Entry DOI: 10.7270/Q29K49B0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM183
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cn[nH]c2)C(=O)N(Cc2cccc(c2)-c2cn[nH]c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(25-29-13-7-15-31(17-29)33-21-40-41-22-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)26-30-14-8-16-32(18-30)34-23-42-43-24-34/h1-18,21-24,35-38,46-47H,19-20,25-26H2,(H,40,41)(H,42,43)/t35-,36-,37+,38+/m1/s1
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0.620 -13.1n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
BindingDB Entry DOI: 10.7270/Q2ZW1J3M
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM188
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2nnn[nH]2)C(=O)N(Cc2cccc(c2)-c2nnn[nH]2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C35H34N10O3/c46-31-29(19-23-9-3-1-4-10-23)44(21-25-13-7-15-27(17-25)33-36-40-41-37-33)35(48)45(30(32(31)47)20-24-11-5-2-6-12-24)22-26-14-8-16-28(18-26)34-38-42-43-39-34/h1-18,29-32,46-47H,19-22H2,(H,36,37,40,41)(H,38,39,42,43)/t29-,30-,31+,32+/m1/s1
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6.60n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC


J Med Chem 41: 2019-28 (1998)


Article DOI: 10.1021/jm9704199
BindingDB Entry DOI: 10.7270/Q29K49B0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM188
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2nnn[nH]2)C(=O)N(Cc2cccc(c2)-c2nnn[nH]2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C35H34N10O3/c46-31-29(19-23-9-3-1-4-10-23)44(21-25-13-7-15-27(17-25)33-36-40-41-37-33)35(48)45(30(32(31)47)20-24-11-5-2-6-12-24)22-26-14-8-16-28(18-26)34-38-42-43-39-34/h1-18,29-32,46-47H,19-22H2,(H,36,37,40,41)(H,38,39,42,43)/t29-,30-,31+,32+/m1/s1
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6.60 -11.6n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
BindingDB Entry DOI: 10.7270/Q2ZW1J3M
More data for this
Ligand-Target Pair