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SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(Cn3cccn3)c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=MWLXVUTUBLGYCG-MDOFDWFASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065070   
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)		BDBM50065070
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(Cn3cccn3)c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C38H38N6O3/c45-36-34(21-27-9-3-1-4-10-27)43(25-30-14-7-13-29(19-30)24-42-18-8-17-40-42)38(47)44(26-31-15-16-33-32(20-31)23-39-41-33)35(37(36)46)22-28-11-5-2-6-12-28/h1-20,23,34-37,45-46H,21-22,24-26H2,(H,39,41)/t34-,35-,36+,37+/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
 0.170n/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