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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L]' and Ligand = 'BDBM9157'   
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,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L]


(Human immunodeficiency virus type 1)		BDBM9157
PNG
((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...)
Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-16-24-7-1-3-9-31(24)50-27)12-13-44(29)18-26(45)15-25(14-23-6-5-11-40-17-23)34(47)42-33-28-8-2-4-10-32(28)49-21-30(33)46/h1-11,16-17,25-26,29-30,33,45-46H,12-15,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1
PDB
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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: 3323-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00680-2
BindingDB Entry DOI: 10.7270/Q2K072GN
More data for this
Ligand-Target Pair