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SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(c2)C(=O)Cc2cccs2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=NSEDEVLFQHAAFP-DDLQZHSQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065076   
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)		BDBM50065076
PNG
((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(1H-ind...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(c2)C(=O)Cc2cccs2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C40H38N4O4S/c45-37(23-33-15-8-18-49-33)31-14-7-13-29(19-31)25-43-35(21-27-9-3-1-4-10-27)38(46)39(47)36(22-28-11-5-2-6-12-28)44(40(43)48)26-30-16-17-34-32(20-30)24-41-42-34/h1-20,24,35-36,38-39,46-47H,21-23,25-26H2,(H,41,42)/t35-,36-,38+,39+/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
 0.230n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease

J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair