BDBM50566087 CHEMBL4787790

SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1

InChI Key InChIKey=BTHCNWXORDNTOR-GOSISDBHSA-N

Data  2 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 3 hits for monomerid = 50566087   

TargetTumor necrosis factor(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566087(CHEMBL4787790)
Affinity DataKd:  7.30nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetTumor necrosis factor(Mus musculus)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566087(CHEMBL4787790)
Affinity DataIC50:  119nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetTumor necrosis factor(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM50566087(CHEMBL4787790)
Affinity DataIC50:  163nMAssay 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
Ligand InfoPC cidPC sidPDB