BDBM445454 US10683279, Example 51a

SMILES CC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(c(C)cn2)-n2cnc(c2)C(C)(C)C)n1

InChI Key InChIKey=SKWGDEFYYHRNIP-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 445454   

TargetMitogen-activated protein kinase kinase kinase 5(Human)
Enanta Pharmaceuticals

US Patent
LigandPNGBDBM445454(US10683279, Example 51a)
Affinity DataIC50: 5.5nMAssay Description:ASK1 was purchased from Thermofisher, ATP was purchased from Sigma , HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass). Area plate w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/15/2021
Entry Details
US Patent