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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 = 'BDBM50036265'   
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)
BDBM50036265
PNG
(CHEMBL155260 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-m...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O5S/c1-24(2)18-19-32(38(35,36)23-27-16-10-5-11-17-27)21-29(33)28(20-25-12-6-3-7-13-25)31-30(34)37-22-26-14-8-4-9-15-26/h3-17,24,28-29,33H,18-23H2,1-2H3,(H,31,34)/t28-,29+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay.


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair