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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 = 'BDBM12206'   
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)
BDBM12206
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-{[4-(N'-hydroxycarbami...)
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)c1ccc(cc1)C(=N)NO
Show InChI InChI=1/C34H47N7O6S2/c1-22(2)18-40(49(46,47)28-13-11-26(12-14-28)32(35)38-45)20-30(42)29(17-25-9-7-6-8-10-25)37-33(43)31(23(3)4)41-16-15-39(34(41)44)19-27-21-48-24(5)36-27/h6-14,21-23,29-31,42,45H,15-20H2,1-5H3,(H2,35,38)(H,37,43)/t29-,30+,31-/s2
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 143n/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