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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor ligand superfamily member 11' and Ligand = 'BDBM50547335'   
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
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)
BDBM50547335
PNG
(CHEMBL3741275)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)
BDBM50547335
PNG
(CHEMBL3741275)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.60E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair