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Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587,Q496K]' and Ligand = 'BDBM9128'   
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
Dimer of Gag-Pol polyprotein [489-587,Q496K]


(Human immunodeficiency virus type 1)		BDBM9128
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)-c2cccc(c2)C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C39H42F6N6O5/c40-38(41,42)24-47-37(55)32-22-49(19-26-10-12-50(20-26)29-7-3-6-28(17-29)39(43,44)45)13-14-51(32)21-30(52)16-27(15-25-5-4-11-46-18-25)36(54)48-35-31-8-1-2-9-34(31)56-23-33(35)53/h1-12,17-18,20,27,30,32-33,35,52-53H,13-16,19,21-24H2,(H,47,55)(H,48,54)/t27-,30+,32+,33-,35+/m1/s1
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PC cid
PC sid
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Similars
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.bmcl.2003.08.049
BindingDB Entry DOI: 10.7270/Q2Z60M7Z
More data for this
Ligand-Target Pair