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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50282006'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50282006
PNG
((1S,4S)-4-[2-Cyclohexyl-1-((S)-3,3-dimethyl-butyry...)
Show SMILES CC(C)CN1C[C@@](O)(C[C@H]1C(=O)NC(C)(C)C)[C@H](CC1CCCCC1)NC(=O)CC(C)(C)C
Show InChI InChI=1S/C27H51N3O3/c1-19(2)17-30-18-27(33,15-21(30)24(32)29-26(6,7)8)22(14-20-12-10-9-11-13-20)28-23(31)16-25(3,4)5/h19-22,33H,9-18H2,1-8H3,(H,28,31)(H,29,32)/t21-,22-,27-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 proteinase


Bioorg Med Chem Lett 3: 1485-1491 (1993)


Article DOI: 10.1016/S0960-894X(00)80004-9
BindingDB Entry DOI: 10.7270/Q2NV9J5D
More data for this
Ligand-Target Pair