BindingDB logo
myBDB logout

5 similar compounds to monomer 50065071

Compile data set for download or QSAR
Wt: 627.7
BDBM50065072
Wt: 654.7
BDBM50065084
Wt: 655.7
BDBM50065085
Wt: 655.7
BDBM50065087
Wt: 588.6
BDBM50065091

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50065072,50065084,50065085,50065087,50065091   
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)
BDBM50065087
PNG
((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(1H-ind...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(c2)C(=O)Cn2ccnn2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C38H37N7O4/c46-35(25-43-17-16-39-42-43)30-13-7-12-28(18-30)23-44-33(20-26-8-3-1-4-9-26)36(47)37(48)34(21-27-10-5-2-6-11-27)45(38(44)49)24-29-14-15-32-31(19-29)22-40-41-32/h1-19,22,33-34,36-37,47-48H,20-21,23-25H2,(H,40,41)/t33-,34-,36+,37+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0210n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease


J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50065091
PNG
((4R,5S,6S,7R)-1-(3-Acetyl-benzyl)-4,7-dibenzyl-5,6...)
Show SMILES CC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1
Show InChI InChI=1S/C36H36N4O4/c1-24(41)29-14-8-13-27(17-29)22-39-32(19-25-9-4-2-5-10-25)34(42)35(43)33(20-26-11-6-3-7-12-26)40(36(39)44)23-28-15-16-31-30(18-28)21-37-38-31/h2-18,21,32-35,42-43H,19-20,22-23H2,1H3,(H,37,38)/t32-,33-,34+,35+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0360n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease


J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50065085
PNG
((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(1H-ind...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(c2)C(=O)Cn2nccn2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C38H37N7O4/c46-35(25-45-40-16-17-41-45)30-13-7-12-28(18-30)23-43-33(20-26-8-3-1-4-9-26)36(47)37(48)34(21-27-10-5-2-6-11-27)44(38(43)49)24-29-14-15-32-31(19-29)22-39-42-32/h1-19,22,33-34,36-37,47-48H,20-21,23-25H2,(H,39,42)/t33-,34-,36+,37+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0460n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease


J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50065072
PNG
((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(1H-ind...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(Cn3cncn3)c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C37H37N7O3/c45-35-33(18-26-8-3-1-4-9-26)43(22-29-13-7-12-28(16-29)21-42-25-38-24-40-42)37(47)44(23-30-14-15-32-31(17-30)20-39-41-32)34(36(35)46)19-27-10-5-2-6-11-27/h1-17,20,24-25,33-36,45-46H,18-19,21-23H2,(H,39,41)/t33-,34-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0540n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease


J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50065084
PNG
((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(1H-ind...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(c2)C(=O)Cn2cccn2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O4/c46-36(26-43-18-8-17-41-43)31-14-7-13-29(19-31)24-44-34(21-27-9-3-1-4-10-27)37(47)38(48)35(22-28-11-5-2-6-12-28)45(39(44)49)25-30-15-16-33-32(20-30)23-40-42-33/h1-20,23,34-35,37-38,47-48H,21-22,24-26H2,(H,40,42)/t34-,35-,37+,38+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0630n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease


J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair