BDBM50092152 2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-ylamino)-4-hydroxy-pentanoic acid (2-hydroxy-indan-1-yl)-amide::CHEMBL331945

SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCCNC1=O)cc2)NC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=ZXUOAWXMXWTRGE-UHFFFAOYSA-N

Data  1 KI  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50092152   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50092152(2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-dia...)
Affinity DataIC50: 56nMAssay Description:Inhibition of virion associated RT activity relative to untreated, infected control in cord blood mononuclear cells (CBMC) infected with HIV -1 TC354...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50092152(2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-dia...)
Affinity DataIC50: 110nMAssay Description:Inhibition of virion associated RT activity relative to untreated, infected control in PBMC cells infected with HIV-1 237288 strainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50092152(2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-dia...)
Affinity DataIC50: 60nMAssay Description:Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells of HIV-1 237288 strainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50092152(2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-dia...)
Affinity DataIC50: 100nMAssay Description:Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-2 strain (ROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50092152(2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-dia...)
Affinity DataKi:  0.600nMAssay Description:Inhibitory constant against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2012
Entry Details Article
PubMed