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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 = 'BDBM7077'   
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)
BDBM7077
PNG
((4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxyme...)
Show SMILES OCc1ccc(CN2[C@H](Cc3ccncc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccncc3)N(Cc3ccc(CO)cc3)C2=O)cc1
Show InChI InChI=1S/C33H36N4O5/c38-21-27-5-1-25(2-6-27)19-36-29(17-23-9-13-34-14-10-23)31(40)32(41)30(18-24-11-15-35-16-12-24)37(33(36)42)20-26-3-7-28(22-39)8-4-26/h1-16,29-32,38-41H,17-22H2/t29-,30-,31+,32+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80 -49.4n/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-...


Bioorg Med Chem Lett 8: 1077-82 (1998)


Article DOI: 10.1016/s0960-894x(98)00175-9
BindingDB Entry DOI: 10.7270/Q21G0JGN
More data for this
Ligand-Target Pair