BDBM50457606 CHEMBL4215950

SMILES [H][C@@]12CO[C@@]3([H])CCC[C@@]([H])([C@H](C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1)[C@@]23[H]

InChI Key InChIKey=YTIYICLVROYRNE-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50457606   

TargetProtease(Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50457606(CHEMBL4215950)
Affinity DataKi:  0.450nMAssay Description:Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed