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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nucleotide-binding oligomerization domain-containing protein 1' and Ligand = 'BDBM62259'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM62259
PNG
(4-(2,3-dihydroindol-1-ylmethyl)-N-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
Show InChI InChI=1S/C23H22N2O2/c1-27-21-12-10-20(11-13-21)24-23(26)19-8-6-17(7-9-19)16-25-15-14-18-4-2-3-5-22(18)25/h2-13H,14-16H2,1H3,(H,24,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM62259
PNG
(4-(2,3-dihydroindol-1-ylmethyl)-N-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
Show InChI InChI=1S/C23H22N2O2/c1-27-21-12-10-20(11-13-21)24-23(26)19-8-6-17(7-9-19)16-25-15-14-18-4-2-3-5-22(18)25/h2-13H,14-16H2,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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