BDBM50545796 CHEMBL4642725

SMILES Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C

InChI Key InChIKey=GRHZLQBPAJAHDM-UHFFFAOYSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50545796   

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

Curated by ChEMBL
LigandPNGBDBM50545796(CHEMBL4642725)
Affinity DataKi:  0.0170nMAssay 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 Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50545796(CHEMBL4642725)
Affinity DataKi:  0.0690nMAssay 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 Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50545796(CHEMBL4642725)
Affinity DataKi:  0.0720nMAssay 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 Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)