BDBM2052 2,8-disubstituted dipyridodiazepinone 35::2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-((4-(2-methyl-1-oxo-pyridinyl))oxy)methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::4-({5-chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)-2-methyl-1-oxidopyridin-1-ium

SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(C)c3)cnc12

InChI Key InChIKey=OHJHLJNZRORZMK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 2052   

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

LigandPNGBDBM2052(2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-((4-(2-m...)
Affinity DataIC50: 100nMAssay 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
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2052(2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-((4-(2-m...)
Affinity DataIC50: 210nMAssay 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
TargetGag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2052(2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-((4-(2-m...)
Affinity DataIC50: 4.31E+3nMAssay 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
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2052(2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-((4-(2-m...)
Affinity DataIC50: 210nMAssay 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