Reaction Details Report a problem with these data
Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM54245
Substrate
n/a
Meas. Tech.
uHTS luminescence assay for the identification of compounds that inhibit NOD2 in MDP treated cells
IC50
2938±n/a nM
Citation
 PubChem, PC uHTS luminescence assay for the identification of compounds that inhibit NOD2 in MDP treated cells PubChem Bioassay (2010)[AID] 
Target
Name:
Nucleotide-binding oligomerization domain-containing protein 2
Synonyms:
CARD15 | Caspase recruitment domain-containing protein 15 | IBD1 | Inflammatory bowel disease protein 1 | NOD2 | NOD2_HUMAN | Nucleotide-binding oligomerization domain-containing protein 2 | nucleotide-binding oligomerization domain containing 2
Type:
PROTEIN
Mol. Mass.:
115287.18
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454053
Residue:
1040
Sequence:
MGEEGGSASHDEEERASVLLGHSPGCEMCSQEAFQAQRSQLVELLVSGSLEGFESVLDWLLSWEVLSWEDYEGFHLLGQPLSHLARRLLDTVWNKGTWACQKLIAAAQEAQADSQSPKLHGCWDPHSLHPARDLQSHRPAIVRRLHSHVENMLDLAWERGFVSQYECDEIRLPIFTPSQRARRLLDLATVKANGLAAFLLQHVQELPVPLALPLEAATCKKYMAKLRTTVSAQSRFLSTYDGAETLCLEDIYTENVLEVWADVGMAGPPQKSPATLGLEELFSTPGHLNDDADTVLVVGEAGSGKSTLLQRLHLLWAAGQDFQEFLFVFPFSCRQLQCMAKPLSVRTLLFEHCCWPDVGQEDIFQLLLDHPDRVLLTFDGFDEFKFRFTDRERHCSPTDPTSVQTLLFNLLQGNLLKNARKVVTSRPAAVSAFLRKYIRTEFNLKGFSEQGIELYLRKRHHEPGVADRLIRLLQETSALHGLCHLPVFSWMVSKCHQELLLQEGGSPKTTTDMYLLILQHFLLHATPPDSASQGLGPSLLRGRLPTLLHLGRLALWGLGMCCYVFSAQQLQAAQVSPDDISLGFLVRAKGVVPGSTAPLEFLHITFQCFFAAFYLALSADVPPALLRHLFNCGRPGNSPMARLLPTMCIQASEGKDSSVAALLQKAEPHNLQITAAFLAGLLSREHWGLLAECQTSEKALLRRQACARWCLARSLRKHFHSIPPAAPGEAKSVHAMPGFIWLIRSLYEMQEERLARKAARGLNVGHLKLTFCSVGPTECAALAFVLQHLRRPVALQLDYNSVGDIGVEQLLPCLGVCKALYLRDNNISDRGICKLIECALHCEQLQKLALFNNKLTDGCAHSMAKLLACRQNFLALRLGNNYITAAGAQVLAEGLRGNTSLQFLGFWGNRVGDEGAQALAEALGDHQSLRWLSLVGNNIGSVGAQALALMLAKNVMLEELCLEENHLQDEGVCSLAEGLKKNSSLKILKLSNNCITYLGAEALLQALERNDTILEVWLRGNTFSLEEVDKLGCRDTRLLL
  
Inhibitor
Name:
BDBM54245
Synonyms:
2-(4-Ethyl-phenoxy)-N-[3-methoxy-4-(2-oxo-2H-chromen-3-yl)-phenyl]-acetamide | 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]ethanamide | 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)phenyl]acetamide | 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide | 2-(4-ethylphenoxy)-N-[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]acetamide | MLS000588829 | SMR000212500 | cid_1207438
Type:
Small organic molecule
Emp. Form.:
C26H23NO5
Mol. Mass.:
429.4645
SMILES:
CCc1ccc(OCC(=O)Nc2ccc(c(OC)c2)-c2cc3ccccc3oc2=O)cc1
Structure:
Search PDB for entries with ligand similarity: