BDBM59544 4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethoxy-phenyl)-benzamide::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethoxyphenyl)benzamide::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-p-phenetyl-benzamide::MLS001211849::SMR000515367::cid_1106360

SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

InChI Key InChIKey=BRYSGTDRSIOCPS-UHFFFAOYSA-N

Data  9 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 10 hits for monomerid = 59544   

TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataEC50:  790nMAssay 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
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  1.79E+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
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  1.13E+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
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  6.05E+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
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  570nMAssay 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
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  3.96E+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
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  6.95E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  6.95E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...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
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  1.13E+3nMAssay 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
LigandPNGBDBM59544(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Affinity DataIC50:  2.05E+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