BDBM50566085 CHEMBL4779860

SMILES CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C

InChI Key InChIKey=BSVSFPVFEQPRJW-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50566085   

TargetTumor necrosis factor(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566085(CHEMBL4779860)
Affinity DataKd:  1.90E+4nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetTumor necrosis factor(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566085(CHEMBL4779860)
Affinity DataIC50: 5.30E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)