BDBM1596 1 1 -C yclopropyl-5,ll -dihydro-4- [ [ (2-hydroxyphenyl)-oxy]methyl]-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::2-cyclopropyl-7-(2-hydroxyphenoxymethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::Nevirapin 4-substituted deriv. 4s

SMILES Oc1ccccc1OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12

InChI Key InChIKey=VWHVOQANFNSYFT-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1596   

TargetGag-Pol polyprotein [600-1027,R876K]/[600-1155](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM1596(2-cyclopropyl-7-(2-hydroxyphenoxymethyl)-2,4,9,15-...)
Affinity DataIC50: 460nMAssay 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:
10/13/2004
Entry Details Article
PubMed