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SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12

InChI Key InChIKey=HDVZWQWXAQRFKJ-UHFFFAOYSA-N

PDB links: 13 PDB IDs contain this monomer as substructures. 13 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  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 8 hits for monomerid = 1517   

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

LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 40nMpH: 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 Article
BindingDB Entry DOI: 10.7270/Q23B5XBJPubMed
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals Inc.

LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+3nMpH: 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 Article
BindingDB Entry DOI: 10.7270/Q23B5XBJPubMed
TargetGag-Pol polyprotein [600-1027,R876K]/[600-1155](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals Inc.

LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 35nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2TT4P4XPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 35nMAssay Description:Inhibition of HIV1 reverse transcriptase derived from HIV patient plasma by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76H0JPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
National Cancer Institute-FCRDC

Curated by ChEMBL
LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 1.03E+4nMAssay Description:Inhibitory activity against HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VD6XJ4PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
National Cancer Institute-FCRDC

Curated by ChEMBL
LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 35nMAssay Description:Inhibition of HIV-1 reverse transcriptase at 37 degree CentigradeMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VX0FRXPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
National Cancer Institute-FCRDC

Curated by ChEMBL
LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 1.03E+4nMAssay Description:Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63MW9
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
National Cancer Institute-FCRDC

Curated by ChEMBL
LigandPNGBDBM1517(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63MW9