BDBM50243040 CHEMBL4065068

SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4ncccc4o3)C(=O)c2c1

InChI Key InChIKey=PFSDJNORFCEZLT-UHFFFAOYSA-N

Data  2 KI  1 IC50

  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 = 50243040   

LigandPNGBDBM50243040(CHEMBL4065068)
Affinity DataKi:  0.5nMAssay Description:Inhibition of catalytic domain TACE (unknown origin) by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2019
Entry Details Article
PubMed
LigandPNGBDBM50243040(CHEMBL4065068)
Affinity DataKi:  0.5nMAssay Description:Binding affinity to TACE catalytic domain (unknown origin) by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2020
Entry Details Article
PubMed
LigandPNGBDBM50243040(CHEMBL4065068)
Affinity DataIC50: 287nMAssay Description:Inhibition of TACE in human whole blood assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulation ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2020
Entry Details Article
PubMed