BDBM54409 4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzoylamino]-benzoic acid ethyl ester::4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoic acid ethyl ester::4-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester::CHEMBL1569174::MLS001209846::SMR000515368::cid_1106361::ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate::ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]benzoate

SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

InChI Key InChIKey=PFNLTXPEWXUGPM-UHFFFAOYSA-N

Data  10 IC50  1 EC50

  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 11 hits for monomerid = 54409   

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

Curated by PubChem BioAssay
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  1.30E+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
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataEC50:  850nMAssay 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
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  335nMAssay 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
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  152nMAssay 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
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  1.40E+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 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  400nMAssay Description:Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  313nMAssay 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
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  150nMAssay Description:Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  400nMAssay Description:Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  150nMAssay Description:Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54409(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Affinity DataIC50:  140nMAssay 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