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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)-c2cc(Cl)c(Cl)c(Cl)c2)C[C@H]1C(=O)NCC(F)(F)F

InChI Key: InChIKey=QWXPUMULWMMLKL-HBWBRTLKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9139   
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)		BDBM9139
PNG
((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...)
Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cc(Cl)c(Cl)c(Cl)c2)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C38H40Cl3F3N6O5/c39-29-14-26(15-30(40)34(29)41)49-9-7-24(18-49)17-48-10-11-50(31(20-48)37(54)46-22-38(42,43)44)19-27(51)13-25(12-23-4-3-8-45-16-23)36(53)47-35-28-5-1-2-6-33(28)55-21-32(35)52/h1-9,14-16,18,25,27,31-32,35,51-52H,10-13,17,19-22H2,(H,46,54)(H,47,53)/t25-,27+,31+,32-,35+/m1/s1
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PC cid
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UniChem

Similars
Article
PubMed
n/an/a 0.0200n/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