BDBM2038 13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::2,8-disubstituted dipyridodiazepinone 20::8-(3-Aminophenyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one

SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12

InChI Key InChIKey=GGICVMHKERQRRS-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 2038   

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

LigandPNGBDBM2038(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
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
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2038(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
Affinity DataIC50:  100nMAssay Description:Inhibitory activity against HIV-1 Y181C reverse transcriptase.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

LigandPNGBDBM2038(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
Affinity DataIC50:  370nMpH: 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

LigandPNGBDBM2038(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
Affinity DataIC50:  100nMpH: 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