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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]' and Ligand = 'BDBM9119'   
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)		BDBM9119
PNG
((2S)-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...)
Show SMILES CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2cncc(OC)c2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
Show InChI InChI=1S/C39H49F3N8O8/c1-5-8-32-47-48-33(58-32)15-23(35(53)46-34-27-9-6-7-10-30(27)56-21-29(34)52)13-25(51)19-49-11-12-50(20-28(49)36(54)45-22-39(40,41)42)38(2,3)37-44-18-31(57-37)24-14-26(55-4)17-43-16-24/h6-7,9-10,14,16-18,23,25,28-29,34,51-52H,5,8,11-13,15,19-22H2,1-4H3,(H,45,54)(H,46,53)/t23-,25-,28-,29+,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.320n/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 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