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Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Protease' and Ligand = 'BDBM9130'   
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)
BDBM9130
PNG
((2S)-4-{[1-(3-fluorophenyl)-1H-pyrrol-3-yl]methyl}...)
Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(F)c2)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C38H42F4N6O5/c39-28-6-3-7-29(17-28)47-12-10-26(20-47)19-46-13-14-48(32(22-46)37(52)44-24-38(40,41)42)21-30(49)16-27(15-25-5-4-11-43-18-25)36(51)45-35-31-8-1-2-9-34(31)53-23-33(35)50/h1-12,17-18,20,27,30,32-33,35,49-50H,13-16,19,21-24H2,(H,44,52)(H,45,51)/t27-,30+,32+,33-,35+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0500n/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: 4027-30 (2003)


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