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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM7028'   
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM7028
PNG
((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1-benzofuran-5-y...)
Show SMILES CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1
Show InChI InChI=1S/C41H42N2O7/c1-25(44)31-7-3-5-29(19-31)23-42-35(21-27-9-11-37-33(17-27)13-15-49-37)39(46)40(47)36(22-28-10-12-38-34(18-28)14-16-50-38)43(41(42)48)24-30-6-4-8-32(20-30)26(2)45/h3-12,17-20,35-36,39-40,46-47H,13-16,21-24H2,1-2H3/t35-,36-,39+,40+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0480 -61.3n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...


J Med Chem 40: 1465-74 (1997)


Article DOI: 10.1021/jm960839i
BindingDB Entry DOI: 10.7270/Q29021Z4
More data for this
Ligand-Target Pair