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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 850 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ... | ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 313 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay | J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay | J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay 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... | ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC | |||||||||||
More data for this Ligand-Target Pair |