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SMILES: O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc1c(F)cccc1Cl)[C@@H](OCc1ccccc1)C(=O)NCc1c(F)cccc1Cl

InChI Key: InChIKey=FWQXKMPOORDITM-SEVDZJIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066922   
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)		BDBM50066922
PNG
((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc1c(F)cccc1Cl)[C@@H](OCc1ccccc1)C(=O)NCc1c(F)cccc1Cl
Show InChI InChI=1S/C34H32Cl2F2N2O6/c35-25-13-7-15-27(37)23(25)17-39-33(43)31(45-19-21-9-3-1-4-10-21)29(41)30(42)32(46-20-22-11-5-2-6-12-22)34(44)40-18-24-26(36)14-8-16-28(24)38/h1-16,29-32,41-42H,17-20H2,(H,39,43)(H,40,44)/t29-,30-,31-,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.00E+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