BDBM50566082 CHEMBL4779359

SMILES CN1CCN(Cc2ccc(-c3c[nH]c4ccncc34)c(OCCc3ccc(cc3)-c3cccc4ccncc34)c2)CC1

InChI Key InChIKey=KOBJJEIVOKWSMI-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50566082   

TargetTumor necrosis factor(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566082(CHEMBL4779359)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetTumor necrosis factor(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566082(CHEMBL4779359)
Affinity DataIC50: 29nMAssay Description:Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetTumor necrosis factor(Mouse)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566082(CHEMBL4779359)
Affinity DataIC50: 128nMAssay Description:Inhibition of TNFalpha in mouse L929 cells exposed to compound incubated for 1 hr with mouse TNFalpha by luminescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed