BDBM2045 2,8-disubstituted dipyridodiazepinone 28::2-ethyl-5-fluoro-9-methyl-13-[(pyridin-4-yloxy)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-(4-pyridinyloxy)methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one

SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12

InChI Key InChIKey=BMCALDMFEXQQRY-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 2045   

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

LigandPNGBDBM2045(5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-(4-pyrid...)
Affinity DataIC50: 50nMpH: 7.8 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:
10/10/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2045(5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-(4-pyrid...)
Affinity DataIC50: 190nMpH: 7.8 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:
10/10/2004
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2045(5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-(4-pyrid...)
Affinity DataIC50: 110nMAssay 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:
10/8/2004
Entry Details Article
PubMed