BDBM199090 US9676792, Compound 26::XMD17-109

SMILES CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7

InChI Key InChIKey=OXSKLFUMHBJZNS-UHFFFAOYSA-N

Data  4 IC50  2 EC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 199090   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM199090(XMD17-109 | US9676792, Compound 26)
Affinity DataIC50: 61nMAssay Description:Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate incubated for 1 hrs in presence of ATP by Adapta TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM199090(XMD17-109 | US9676792, Compound 26)
Affinity DataEC50:  80nMAssay Description:Inhibition of EGF-stimulated ERK5 autophosphorylation in human HeLa cells preincubated with compound for 1 hrs followed by EGF stimulation for 17 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM199090(XMD17-109 | US9676792, Compound 26)
Affinity DataIC50: 82nMAssay Description:Inhibition of N-terminal 6His-tagged human ERK5 expressed in baculovirus infected Sf21 cells co-expressing HA-tagged human MEK5-DD using ARKKRRHPSGPP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM199090(XMD17-109 | US9676792, Compound 26)
Affinity DataIC50: 162nM EC50:  90nMpH: 7.5Assay Description:Kinase activity was determined in an assay volume of 40 μl in kinase buffer (50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mM 2-mercaptoethanol) contai...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2018
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM199090(XMD17-109 | US9676792, Compound 26)
Affinity DataIC50: 339nMAssay Description:In vitro kinase assays were conducted at Invitrogen (Madison, Wis.) using the SelectScreen Kinase Profiling Service.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2018
Entry Details
Go to US Patent