BDBM50545787 CHEMBL4646600

SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)OC)Cc1ccccc1

InChI Key InChIKey=YTBBVCQPJXFQBH-UHFFFAOYSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50545787   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50545787(CHEMBL4646600)
Affinity DataKi:  46nMAssay Description:Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50545787(CHEMBL4646600)
Affinity DataKi:  236nMAssay Description:Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protea...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50545787(CHEMBL4646600)
Affinity DataKi:  484nMAssay Description:Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing p...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)