BDBM1591 11-Cyclopropyl-5,1 l-dihydro-4-(3-pyrrolinylmethyl)-6H-dipyrido[3,2-b:2 ,3 -e][ 1,4]diazepin-6-one::2-cyclopropyl-7-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::Nevirapin 4-substituted deriv. 4n

SMILES O=C1Nc2c(CC3=CCNC3)ccnc2N(C2CC2)c2ncccc12

InChI Key InChIKey=NSLHNWSWQSHNCB-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 1591   

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

LigandPNGBDBM1591(11-Cyclopropyl-5,1 l-dihydro-4-(3-pyrrolinylmethyl...)
Affinity DataIC50: 640nMpH: 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 Depth
Date in BDB:
10/13/2004
Entry Details Article
PubMed