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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 = 'BDBM62291'   
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))
BDBM62291
PNG
(4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzo...)
Show SMILES OS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C23H22N2O4S/c26-23(24-21-9-11-22(12-10-21)30(27,28)29)19-7-5-17(6-8-19)15-25-14-13-18-3-1-2-4-20(18)16-25/h1-12H,13-16H2,(H,24,26)(H,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
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))
BDBM62291
PNG
(4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzo...)
Show SMILES OS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C23H22N2O4S/c26-23(24-21-9-11-22(12-10-21)30(27,28)29)19-7-5-17(6-8-19)15-25-14-13-18-3-1-2-4-20(18)16-25/h1-12H,13-16H2,(H,24,26)(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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