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SMILES: O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(c2)C#N)C[C@H]1C(=O)NCC(F)(F)F

InChI Key: InChIKey=QAEDTXWPNADCED-SSWFPHBZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9129   
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
Dimer of Gag-Pol polyprotein [489-587,Q496K]


(Human immunodeficiency virus type 1)		BDBM9129
PNG
((2S)-4-{[1-(3-cyanophenyl)-1H-pyrrol-3-yl]methyl}-...)
Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(c2)C#N)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C39H42F3N7O5/c40-39(41,42)25-45-38(53)33-23-47(20-28-10-12-48(21-28)30-7-3-5-26(16-30)18-43)13-14-49(33)22-31(50)17-29(15-27-6-4-11-44-19-27)37(52)46-36-32-8-1-2-9-35(32)54-24-34(36)51/h1-12,16,19,21,29,31,33-34,36,50-51H,13-15,17,20,22-25H2,(H,45,53)(H,46,52)/t29-,31+,33+,34-,36+/m1/s1
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PC cid
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UniChem

Similars
Article
PubMed
n/an/a 0.150n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...

Bioorg Med Chem Lett 13: 4027-30 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.049
BindingDB Entry DOI: 10.7270/Q2Z60M7Z
More data for this
Ligand-Target Pair