BDBM2022 2,8-Disubstituted Dipyridodiazepinone 36::2,8-Substituted Dipyridodiazepinone 36::2,8-disubstituted dipyridodiazepinone III::5-chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12

InChI Key InChIKey=CKKSVVDATCYHNV-UHFFFAOYSA-N

Data  11 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 11 hits for monomerid = 2022   

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

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  150nMpH: 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  960nMpH: 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,R876K]/[600-1155](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  50nMAssay 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  150nMAssay 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 DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  960nMAssay Description:Inhibitory activity against HIV-1 Y188L reverse transcriptase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  50nMAssay 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  840nMAssay 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  120nMAssay 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  710nMAssay 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2022(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Affinity DataIC50:  960nMAssay 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 DepthDetails ArticlePubMed