BDBM50613442 CHEMBL1233845

SMILES CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC

InChI Key InChIKey=FCLYPCIMVVLLRN-UHFFFAOYSA-N

Data  1 KI

  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 3 hits for monomerid = 50613442   

TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Chan Medical School

Curated by ChEMBL
LigandPNGBDBM50613442(CHEMBL1233845)
Affinity DataKi: <0.00500nMAssay Description:Binding affinity to drug-resistant HIV-1 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Chan Medical School

Curated by ChEMBL
LigandPNGBDBM50613442(CHEMBL1233845)
Affinity DataKi: <0.00500nMAssay Description:Binding affinity to drug-resistant HIV-1 protease I84V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using a EDA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50613442(CHEMBL1233845)
Affinity DataKi:  8.10nMAssay Description:Binding affinity to wild-type HIV1 protease expressed in Escherichia coli BL21(DE3) assessed as inhibition constant using (2-aminobenzoyl)Thr-Ile-Nle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed