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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 = 'BDBM4265'   
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)
BDBM4265
PNG
((2-Ethyl-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-5-19-20(12-9-13-23(19)33)25(35)30-21(14-17-10-7-6-8-11-17)24(34)27(37)32-16-18(29)15-22(32)26(36)31-28(2,3)4/h6-13,18,21-22,24,33-34H,5,14-16H2,1-4H3,(H,30,35)(H,31,36)/t18-,21-,22-,24-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/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