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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 = 'BDBM4244'   
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)
BDBM4244
PNG
((2R,3S)-2-methoxy-3,6-dihydro-2H-pyran-3-yl N-[(2S...)
Show SMILES CO[C@@H]1OCC=C[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r,c:5|
Show InChI InChI=1S/C26H36ClN3O7/c1-26(2,3)29-22(32)19-14-17(27)15-30(19)23(33)21(31)18(13-16-9-6-5-7-10-16)28-25(34)37-20-11-8-12-36-24(20)35-4/h5-11,17-21,24,31H,12-15H2,1-4H3,(H,28,34)(H,29,32)/t17-,18-,19-,20-,21-,24+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/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