BDBM2110 2,8-Substituted Dipyridodiazepinone 53::2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-[2-(2-hydroxymethyl-4-pyridyl)ethyl]-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::5-chloro-2-ethyl-13-{2-[2-(hydroxymethyl)pyridin-4-yl]ethyl}-9-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(CCc3ccnc(CO)c3)cnc12

InChI Key InChIKey=NVNZPDYBQNEBRX-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 = 2110   

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

LigandPNGBDBM2110(5-chloro-2-ethyl-13-{2-[2-(hydroxymethyl)pyridin-4...)
Affinity DataIC50: 160nMAssay 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 Depth
Date in BDB:
10/13/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2110(5-chloro-2-ethyl-13-{2-[2-(hydroxymethyl)pyridin-4...)
Affinity DataIC50: 280nMAssay 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 Depth
Date in BDB:
10/13/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM2110(5-chloro-2-ethyl-13-{2-[2-(hydroxymethyl)pyridin-4...)
Affinity DataIC50: 1.00E+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 Depth
Date in BDB:
10/13/2004
Entry Details Article
PubMed