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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,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L]' and Ligand = 'BDBM9117'   
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,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L]


(Human immunodeficiency virus type 1)		BDBM9117
PNG
((2S)-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...)
Show SMILES COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C36H43F3N8O8/c1-35(2,34-41-15-29(55-34)22-11-24(52-3)14-40-13-22)47-9-8-46(26(17-47)33(51)42-19-36(37,38)39)16-23(48)10-21(12-30-45-43-20-54-30)32(50)44-31-25-6-4-5-7-28(25)53-18-27(31)49/h4-7,11,13-15,20-21,23,26-27,31,48-49H,8-10,12,16-19H2,1-3H3,(H,42,51)(H,44,50)/t21-,23-,26-,27+,31-/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
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AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.40n/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 14: 4651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.092
BindingDB Entry DOI: 10.7270/Q22Z13QX
More data for this
Ligand-Target Pair