BDBM50545786 CHEMBL4640533

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

InChI Key InChIKey=LPGGYDYQUYLLOU-LGDXJAAOSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50545786   

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

Curated by ChEMBL
LigandPNGBDBM50545786(CHEMBL4640533)
Affinity DataKi:  0.0130nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50545786(CHEMBL4640533)
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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50545786(CHEMBL4640533)
Affinity DataKi:  0.372nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)