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SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(Cn3ccnn3)c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=TYWFTCCQWGMFKY-NWJWHWDBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065077   
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)		BDBM50065077
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(Cn3ccnn3)c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C37H37N7O3/c45-35-33(20-26-8-3-1-4-9-26)43(24-29-13-7-12-28(18-29)23-42-17-16-38-41-42)37(47)44(25-30-14-15-32-31(19-30)22-39-40-32)34(36(35)46)21-27-10-5-2-6-11-27/h1-19,22,33-36,45-46H,20-21,23-25H2,(H,39,40)/t33-,34-,35+,36+/m1/s1
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PC cid
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Similars
Article
PubMed
 0.110n/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