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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Protease' and Ligand = 'BDBM338'   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM338
PNG
((3R,4S,5S,6R)-3,6-Bis(benzyl)-4,5-dihydroxy-2-[(N-...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C34H34N4O7S3/c39-31(36-34-35-17-19-47-34)21-38-29(23-45-27-10-5-2-6-11-27)33(41)32(40)28(22-44-26-8-3-1-4-9-26)37(48(38,42)43)20-24-13-15-25(16-14-24)30-12-7-18-46-30/h1-19,28-29,32-33,40-41H,20-23H2,(H,35,36,39)/t28-,29-,32+,33+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.80E+3 -33.3n/an/an/an/an/a5.030



Uppsala University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...


J Med Chem 44: 155-69 (2001)


BindingDB Entry DOI: 10.7270/Q2JM27T6
More data for this
Ligand-Target Pair