BDBM2057 2,8-disubstituted dipyridodiazepinone 40::2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-(2-pyrimidinylthio)methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::5-chloro-2-ethyl-9-methyl-13-[(pyrimidin-2-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

SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ncccn3)cnc12

InChI Key InChIKey=RBFYUIXVWQHOIR-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 = 2057   

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

LigandPNGBDBM2057(2,8-disubstituted dipyridodiazepinone 40 | 2-Chlor...)
Affinity DataIC50:  30nMAssay 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

LigandPNGBDBM2057(2,8-disubstituted dipyridodiazepinone 40 | 2-Chlor...)
Affinity DataIC50:  60nMAssay Description:Inhibitory activity against HIV-1 Y181C reverse transcriptase.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

LigandPNGBDBM2057(2,8-disubstituted dipyridodiazepinone 40 | 2-Chlor...)
Affinity DataIC50:  60nMAssay 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