BDBM1601 11-Cyclopropyl-5,l l-dihydro-4-[[(4-cyanophenyl)oxyl-methyl]-6H-dipyrido[3,2-b:2 ,3 -e] [1,4]diazepin-6-one::4-({2-cyclopropyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-yl}methoxy)benzonitrile::Nevirapin 4-substituted deriv. 4x

SMILES O=C1Nc2c(COc3ccc(cc3)C#N)ccnc2N(C2CC2)c2ncccc12

InChI Key InChIKey=HWSRBAVEDUKVGS-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 1601   

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

LigandPNGBDBM1601(11-Cyclopropyl-5,l l-dihydro-4-[[(4-cyanophenyl)ox...)
Affinity DataIC50: 410nMAssay 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