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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 2' and Ligand = 'BDBM62257'   
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 2


(Homo sapiens (Human))
BDBM62257
PNG
(MLS-0360553.0001 | cid_20901691 | cyclopropyl-[5-[...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1
Show InChI InChI=1S/C24H29N3O4S/c1-17-15-19-16-22(9-10-23(19)27(17)24(28)18-3-4-18)32(29,30)26-13-11-25(12-14-26)20-5-7-21(31-2)8-6-20/h5-10,16-18H,3-4,11-15H2,1-2H3
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PubMed
n/an/a 390n/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 2


(Homo sapiens (Human))
BDBM62257
PNG
(MLS-0360553.0001 | cid_20901691 | cyclopropyl-[5-[...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1
Show InChI InChI=1S/C24H29N3O4S/c1-17-15-19-16-22(9-10-23(19)27(17)24(28)18-3-4-18)32(29,30)26-13-11-25(12-14-26)20-5-7-21(31-2)8-6-20/h5-10,16-18H,3-4,11-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/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