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SMILES: CNC(=O)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC(C(=O)NC)c1cccc(F)c1)c1cccc(F)c1

InChI Key: InChIKey=ZLURWBVMXHZATQ-YRSICMOKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066914   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM50066914
PNG
((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...)
Show SMILES CNC(=O)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC(C(=O)NC)c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C38H40F2N4O8/c1-41-35(47)29(25-15-9-17-27(39)19-25)43-37(49)33(51-21-23-11-5-3-6-12-23)31(45)32(46)34(52-22-24-13-7-4-8-14-24)38(50)44-30(36(48)42-2)26-16-10-18-28(40)20-26/h3-20,29-34,45-46H,21-22H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t29?,30?,31-,32-,33-,34-/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
 81n/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