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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50284922'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50284922
PNG
(1N-[1-benzyl-2,3-dihydroxy-4-(3-hydroxy-2-methylph...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C34H36N2O6/c1-21-25(15-9-17-29(21)37)33(41)35-27(19-23-11-5-3-6-12-23)31(39)32(40)28(20-24-13-7-4-8-14-24)36-34(42)26-16-10-18-30(38)22(26)2/h3-18,27-28,31-32,37-40H,19-20H2,1-2H3,(H,35,41)(H,36,42)/t27-,28-,31-,32+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
Article
 1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV protease

Bioorg Med Chem Lett 5: 1707-1712 (1995)


Article DOI: 10.1016/0960-894X(95)00289-6
BindingDB Entry DOI: 10.7270/Q2WD40H2
More data for this
Ligand-Target Pair