BDBM2058 2,8-disubstituted dipyridodiazepinone 41::2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-(pyridinylthio)methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::5-chloro-2-ethyl-9-methyl-13-[(pyridin-4-ylsulfanyl)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one::8-heteroarylthiomethyldipyridodiazepinone deriv. 1

SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12

InChI Key InChIKey=AHAQASQWEHMCHG-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 2058   

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

LigandPNGBDBM2058(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
Affinity DataIC50:  20nMAssay 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

LigandPNGBDBM2058(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
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
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2058(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
Affinity DataIC50:  20nMAssay Description:Inhibitory activity against HIV-1 wild-type reverse transcriptase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,K702N,Y780C]/[600-1155,K702N,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim (Canada)

LigandPNGBDBM2058(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
Affinity DataIC50:  26nMpH: 7.4 T: 2°CAssay Description:IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...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

LigandPNGBDBM2058(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
Affinity DataIC50:  3nMpH: 7.4 T: 2°CAssay Description:IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed