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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 = 'BDBM50285910'   
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)		BDBM50285910
PNG
(CHEMBL93718 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3-...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H38N2O5/c1-21-25(16-11-17-27(21)34)29(36)33-26(19-23-14-9-6-10-15-23)28(35)20-24(18-22-12-7-5-8-13-22)32-30(37)38-31(2,3)4/h5-17,24,26,28,34-35H,18-20H2,1-4H3,(H,32,37)(H,33,36)/t24-,26-,28-/m0/s1
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Article
n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV protease

Bioorg Med Chem Lett 5: 2725-2728 (1995)


Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN
More data for this
Ligand-Target Pair