BDBM54389 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoranyl-5H-pyrimido[5,4-b]indole::4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimid[5,4-b]indole::4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole::MLS000768353::SMR000431674::cid_920148

SMILES Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1

InChI Key InChIKey=GLFPCJRGYHIIEA-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 54389   

TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54389(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoranyl-5H...)
Affinity DataIC50:  1.27E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54389(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoranyl-5H...)
Affinity DataEC50:  3.14E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTegument protein VP16(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54389(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoranyl-5H...)
Affinity DataIC50:  7.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCOUP transcription factor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54389(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoranyl-5H...)
Affinity DataIC50:  5.24E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54389(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoranyl-5H...)
Affinity DataIC50:  1.51E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay