BDBM2112 2,8-Substituted Dipyridodiazepinone 55::2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-[2-(2-carboxamidopyrid-4-yl)ethyl]-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::4-(2-{5-chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide

SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(N)=O)cnc12

InChI Key InChIKey=CVKUHCDBBJWDLQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 2112   

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

LigandPNGBDBM2112(2,8-Substituted Dipyridodiazepinone 55 | 2-Chloro-...)
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,Y787L]/[600-1155,Y787L](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2112(2,8-Substituted Dipyridodiazepinone 55 | 2-Chloro-...)
Affinity DataIC50:  4.00E+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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2112(2,8-Substituted Dipyridodiazepinone 55 | 2-Chloro-...)
Affinity DataIC50:  250nMAssay 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