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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Protease' and Ligand = 'BDBM12213'   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12213
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-({3-[(1E)-(hydroxyimin...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1cccc(CN=O)c1
Show InChI InChI=1/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-9-12-27(16-29)18-35-44)21-31(41)30(17-26-10-7-6-8-11-26)37-33(42)32(24(3)4)40-15-14-38(34(40)43)20-28-22-47-25(5)36-28/h6-13,16,22-24,30-32,41H,14-15,17-21H2,1-5H3,(H,37,42)/t30-,31+,32-/s2
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/a4.530



Abbott Laboratories



Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair