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SMILES: Cc1cccc(c1)-n1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@@H]3[C@H](O)COc4ccccc34)[C@@H](C2)C(=O)NCC(F)(F)F)c1

InChI Key: InChIKey=CRGBWRPKHYQBLG-SSWFPHBZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9131   
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)		BDBM9131
PNG
((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...)
Show SMILES Cc1cccc(c1)-n1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@@H]3[C@H](O)COc4ccccc34)[C@@H](C2)C(=O)NCC(F)(F)F)c1 |r|
Show InChI InChI=1S/C39H45F3N6O5/c1-26-6-4-8-30(16-26)47-13-11-28(21-47)20-46-14-15-48(33(23-46)38(52)44-25-39(40,41)42)22-31(49)18-29(17-27-7-5-12-43-19-27)37(51)45-36-32-9-2-3-10-35(32)53-24-34(36)50/h2-13,16,19,21,29,31,33-34,36,49-50H,14-15,17-18,20,22-25H2,1H3,(H,44,52)(H,45,51)/t29-,31+,33+,34-,36+/m1/s1
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PC cid
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UniChem

Similars
Article
PubMed
n/an/a 0.100n/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