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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 = 'BDBM50066916'   
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)		BDBM50066916
PNG
((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...)
Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC
Show InChI InChI=1S/C40H46N4O10/c1-41-37(49)31(21-25-13-17-29(45)18-14-25)43-39(51)35(53-23-27-9-5-3-6-10-27)33(47)34(48)36(54-24-28-11-7-4-8-12-28)40(52)44-32(38(50)42-2)22-26-15-19-30(46)20-16-26/h3-20,31-36,45-48H,21-24H2,1-2H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)/t31-,32-,33+,34+,35+,36+/m0/s1
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PC cid
PC sid
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Similars
Article
PubMed
 5.00E+3n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay

J Med Chem 41: 3782-92 (1998)


Article DOI: 10.1021/jm970777b
BindingDB Entry DOI: 10.7270/Q2PK0F93
More data for this
Ligand-Target Pair