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SMILES: CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1

InChI Key: InChIKey=CWOXFLIEIKARDT-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 62242   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM62242
PNG
(4-(piperidinomethyl)-N-p-phenetyl-benzamide | MLS-...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-2-25-20-12-10-19(11-13-20)22-21(24)18-8-6-17(7-9-18)16-23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
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PCBioAssay
n/an/a 2.00E+4n/an/an/an/an/an/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 protein 2


(Homo sapiens (Human))
BDBM62242
PNG
(4-(piperidinomethyl)-N-p-phenetyl-benzamide | MLS-...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-2-25-20-12-10-19(11-13-20)22-21(24)18-8-6-17(7-9-18)16-23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/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
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM62242
PNG
(4-(piperidinomethyl)-N-p-phenetyl-benzamide | MLS-...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-2-25-20-12-10-19(11-13-20)22-21(24)18-8-6-17(7-9-18)16-23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/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))
BDBM62242
PNG
(4-(piperidinomethyl)-N-p-phenetyl-benzamide | MLS-...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-2-25-20-12-10-19(11-13-20)22-21(24)18-8-6-17(7-9-18)16-23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/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