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SMILES: CO[C@@H]1OC(CNC(=O)OCc2ccccc2)[C@@H](O)C(OCc2ccccc2)[C@H]1O

InChI Key: InChIKey=FTEHSNJNOHRKJC-KEJKRZOFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50114968   
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)		BDBM50114968
PNG
(((3R,5R,6R)-4-Benzyloxy-3,5-dihydroxy-6-methoxy-te...)
Show SMILES CO[C@@H]1OC(CNC(=O)OCc2ccccc2)[C@@H](O)C(OCc2ccccc2)[C@H]1O
Show InChI InChI=1S/C22H27NO7/c1-27-21-19(25)20(28-13-15-8-4-2-5-9-15)18(24)17(30-21)12-23-22(26)29-14-16-10-6-3-7-11-16/h2-11,17-21,24-25H,12-14H2,1H3,(H,23,26)/t17?,18-,19-,20?,21-/m1/s1
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.66E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 protease

Bioorg Med Chem Lett 12: 1763-6 (2002)


BindingDB Entry DOI: 10.7270/Q22R3S65
More data for this
Ligand-Target Pair