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SMILES: Nc1cccc(c1)N1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C1=O

InChI Key: InChIKey=FJWVGEMWYQYGGB-MDOFDWFASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073091   
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)		BDBM50073091
PNG
(3-[(4R,5S,6S,7R)-3-(3-Amino-phenyl)-4,7-dibenzyl-5...)
Show SMILES Nc1cccc(c1)N1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C1=O
Show InChI InChI=1S/C40H38N6O4/c41-30-17-10-18-31(24-30)46-35(23-27-13-5-2-6-14-27)37(48)36(47)34(22-26-11-3-1-4-12-26)45(40(46)50)25-28-15-9-16-29(21-28)38(49)44-39-42-32-19-7-8-20-33(32)43-39/h1-21,24,34-37,47-48H,22-23,25,41H2,(H2,42,43,44,49)/t34-,35-,36+,37+/m1/s1
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Similars
Article
PubMed
 0.0230n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease

J Med Chem 42: 249-59 (1999)


Article DOI: 10.1021/jm980369n
BindingDB Entry DOI: 10.7270/Q2JM28TM
More data for this
Ligand-Target Pair