BDBM50532836 CHEMBL4463920

SMILES CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC

InChI Key InChIKey=HFTRJIHLZBXXJY-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50532836   

TargetProtease(Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50532836(CHEMBL4463920)
Affinity DataKi:  1.90nMAssay Description:Inhibition of HIV1 protease using Abz-NleF*-6 as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 1 hr by fluoro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50532836(CHEMBL4463920)
Affinity DataKi:  1.90nMAssay Description:Inhibition of HIV1 protease using Abz-NleF*-6 as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 1 hr by fluoro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed