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SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccccn2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=ARGINUMNBCUKGF-BIOQCECJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061416   
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)		BDBM50061416
PNG
(3-[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-3-(3-n...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccccn2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H37N5O6/c45-36-33(23-27-11-3-1-4-12-27)42(25-29-15-9-17-31(21-29)38(47)41-35-19-7-8-20-40-35)39(48)43(26-30-16-10-18-32(22-30)44(49)50)34(37(36)46)24-28-13-5-2-6-14-28/h1-22,33-34,36-37,45-46H,23-26H2,(H,40,41,47)/t33-,34-,36+,37+/m1/s1
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Similars
Article
PubMed
 0.0960n/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