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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)Cn2cccn2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=BKKQECSJRDVDJZ-PASMDFPHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065084   
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)		BDBM50065084
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)Cn2cccn2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C39H38N6O4/c46-36(26-43-18-8-17-41-43)31-14-7-13-29(19-31)24-44-34(21-27-9-3-1-4-10-27)37(47)38(48)35(22-28-11-5-2-6-12-28)45(39(44)49)25-30-15-16-33-32(20-30)23-40-42-33/h1-20,23,34-35,37-38,47-48H,21-22,24-26H2,(H,40,42)/t34-,35-,37+,38+/m1/s1
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MMDB

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PC cid
PC sid
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Similars
Article
PubMed
 0.0630n/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