BDBM50483552 Lersivirine::UK-453061

SMILES CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N

InChI Key InChIKey=MCPUZZJBAHRIPO-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50483552   

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50483552(Lersivirine | UK-453061)
Affinity DataKd:  624nMAssay Description:Binding affinity to recombinant HIV1 reverse transcriptase by isothermal calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50483552(Lersivirine | UK-453061)
Affinity DataIC50: 215nMAssay Description:Inhibition of HIV1 HXB2 reverse transcriptase K103N mutant activity by primer extension assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50483552(Lersivirine | UK-453061)
Affinity DataIC50: 118nMAssay Description:Inhibition of HIV1 reverse transcriptase activity by primer extension assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50483552(Lersivirine | UK-453061)
Affinity DataKi:  117nMAssay Description:Mixed non-competitive inhibition of HIV1 reverse transcriptase activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)