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Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Protease' and Ligand = 'BDBM9152'   
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)
BDBM9152
PNG
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...)
Show SMILES COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C40H47F3N6O7/c1-39(2,38-45-20-34(56-38)27-17-29(54-3)19-44-18-27)49-14-13-48(31(22-49)37(53)46-24-40(41,42)43)21-28(50)16-26(15-25-9-5-4-6-10-25)36(52)47-35-30-11-7-8-12-33(30)55-23-32(35)51/h4-12,17-20,26,28,31-32,35,50-51H,13-16,21-24H2,1-3H3,(H,46,53)(H,47,52)/t26-,28+,31+,32-,35+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0200n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...


Bioorg Med Chem Lett 13: 2573-6 (2003)


Article DOI: 10.1021/jm800200u
More data for this
Ligand-Target Pair