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SMILES: COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)Nc3ccc(C)cn3)C2=O)c1

InChI Key: InChIKey=SFASRDRWOGHVFO-DDLQZHSQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061404   
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)		BDBM50061404
PNG
(3-[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-3-(3-m...)
Show SMILES COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)Nc3ccc(C)cn3)C2=O)c1
Show InChI InChI=1S/C41H42N4O5/c1-28-19-20-37(42-25-28)43-40(48)33-17-9-15-31(21-33)26-44-35(23-29-11-5-3-6-12-29)38(46)39(47)36(24-30-13-7-4-8-14-30)45(41(44)49)27-32-16-10-18-34(22-32)50-2/h3-22,25,35-36,38-39,46-47H,23-24,26-27H2,1-2H3,(H,42,43,48)/t35-,36-,38+,39+/m1/s1
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Similars
Article
PubMed
 0.0690n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Affinity of the compound against HIV protease

J Med Chem 40: 4079-88 (1998)


Article DOI: 10.1021/jm970288b
BindingDB Entry DOI: 10.7270/Q2XS5TG1
More data for this
Ligand-Target Pair