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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 = 'BDBM4242'   
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)
BDBM4242
PNG
((1,4:3,6-Dianhydro-D-sorbitol)carbonyl-(2S,3S)-AHP...)
Show SMILES [H][C@]12OC[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C)[C@@]1([H])OC[C@H]2O |r|
Show InChI InChI=1S/C26H36ClN3O8/c1-26(2,3)29-23(33)17-10-15(27)11-30(17)24(34)20(32)16(9-14-7-5-4-6-8-14)28-25(35)38-19-13-37-21-18(31)12-36-22(19)21/h4-8,15-22,31-32H,9-13H2,1-3H3,(H,28,35)(H,29,33)/t15-,16-,17-,18+,19+,20-,21+,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair