BDBM50505949 CHEMBL4590759::US11168095, Example 1

SMILES Brc1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3

InChI Key InChIKey=PCXKTPCUDYZJQY-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50505949   

LigandPNGBDBM50505949(CHEMBL4590759 | US11168095, Example 1)
Affinity DataIC50: 31nMAssay Description:Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
LigandPNGBDBM50505949(CHEMBL4590759 | US11168095, Example 1)
Affinity DataIC50: 100nMAssay Description:Table 1: Briefly, 20 μL aliquots of a 1.5× stock of ASK1, STK Substrate 3 and Assay Buffer were distributed in the wells of a white 384 well Opt...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details
US Patent