BDBM1368 9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][1,3]thiazol-5-one::CHEMBL85446::Thiazoloisoindol-5-one deriv. 13

SMILES Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3

InChI Key InChIKey=FQVDJZWFSZSGGA-UHFFFAOYSA-N

Data  2 IC50

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 2 hits for monomerid = 1368   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Boehringer Mannheim

LigandPNGBDBM1368(CHEMBL85446 | 9b-(3-methylphenyl)-2H,3H,5H,9bH-iso...)
Affinity DataIC50: 35nMpH: 7.7 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2004
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Boehringer Mannheim

Curated by ChEMBL
LigandPNGBDBM1368(CHEMBL85446 | 9b-(3-methylphenyl)-2H,3H,5H,9bH-iso...)
Affinity DataIC50: 30nMAssay Description:In vitro for inhibitory activity against HIV-1 Reverse TranscriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)