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SMILES: O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2csc(n2)-c2ccc(cc2)C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F

InChI Key: InChIKey=QCDSMEFLKXHFKV-RTSAQHOVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9095   
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)		BDBM9095
PNG
((2S)-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...)
Show SMILES O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2csc(n2)-c2ccc(cc2)C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C40H40F6N6O5S2/c41-39(42,43)22-48-37(56)31-19-51(17-27-21-58-38(49-27)23-5-7-26(8-6-23)40(44,45)46)11-12-52(31)18-28(53)13-24(14-29-15-25-16-47-10-9-34(25)59-29)36(55)50-35-30-3-1-2-4-33(30)57-20-32(35)54/h1-10,15-16,21,24,28,31-32,35,53-54H,11-14,17-20,22H2,(H,48,56)(H,50,55)/t24-,28-,31-,32+,35-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0700n/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 15: 5311-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.072
BindingDB Entry DOI: 10.7270/Q26Q1VF8
More data for this
Ligand-Target Pair