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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Protease Mutant K-60C' and Ligand = 'BDBM9122'   
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 Mutant K-60C


(Human immunodeficiency virus type 1)
BDBM9122
PNG
((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...)
Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C38H43F3N6O5/c39-38(40,41)25-43-37(51)32-23-45(20-27-12-14-46(21-27)29-8-2-1-3-9-29)15-16-47(32)22-30(48)18-28(17-26-7-6-13-42-19-26)36(50)44-35-31-10-4-5-11-34(31)52-24-33(35)49/h1-14,19,21,28,30,32-33,35,48-49H,15-18,20,22-25H2,(H,43,51)(H,44,50)/t28-,30+,32+,33-,35+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



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: 4027-30 (2003)


Article DOI: 10.1016/j.bmc.2006.09.055
BindingDB Entry DOI: 10.7270/Q2Z60M7Z
More data for this
Ligand-Target Pair