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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50005705'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005705
PNG
(1-(3-Benzyloxycarbonylamino-2-hydroxy-4-phenyl-but...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H36N2O5/c1-27(2,3)34-25(31)23-15-10-16-29(23)18-24(30)22(17-20-11-6-4-7-12-20)28-26(32)33-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,30H,10,15-19H2,1-3H3,(H,28,32)/t22-,23+,24?/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Inhibitory activity of the Compound was tested against HIV protease enzyme.(value reported by Roche group)


J Med Chem 35: 1318-20 (1992)


Article DOI: 10.1021/jm00085a020
BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair