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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 = 'BDBM12202'   
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)
BDBM12202
PNG
(4-{[(2R,3S)-2-hydroxy-3-[(2S)-3-methyl-2-{3-[(2-me...)
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(O)=O
Show InChI InChI=1/C34H45N5O7S2/c1-22(2)18-38(48(45,46)28-13-11-26(12-14-28)33(42)43)20-30(40)29(17-25-9-7-6-8-10-25)36-32(41)31(23(3)4)39-16-15-37(34(39)44)19-27-21-47-24(5)35-27/h6-14,21-23,29-31,40H,15-20H2,1-5H3,(H,36,41)(H,42,43)/t29-,30+,31-/s2
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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