BDBM445440 US10683279, Example 37a::US10988458, Example 37a::US11560368, Example 37a

SMILES CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(c(cc2F)C(F)(F)F)-n2cnc(c2)C2CC2)n1

InChI Key InChIKey=FTOSASMYSHYKLW-UHFFFAOYSA-N

Data  3 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 = 445440   

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

US Patent
LigandPNGBDBM445440(US10683279, Example 37a | US10988458, Example 37a ...)
Affinity DataIC50: 5.5nMAssay Description:ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF KinEASE Assay System was obtained fro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
US Patent

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

US Patent
LigandPNGBDBM445440(US10683279, Example 37a | US10988458, Example 37a ...)
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

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

US Patent
LigandPNGBDBM445440(US10683279, Example 37a | US10988458, Example 37a ...)
Affinity DataIC50: 5.5nMAssay Description:ASK1 was purchased from Thermofisher (Catalogue # PV4011), ATP was purchased from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
US Patent