BDBM481879 (4-((5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl) amino)-3-methoxyphenyl)(morpholino)methanone ::US10913744, Compound 18

SMILES CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl

InChI Key InChIKey=HUEKBQXFNHWTQQ-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  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 6 hits for monomerid = 481879   

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,G2019S](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM481879(US10913744, Compound 18 | (4-((5-chloro-4-(methyla...)
Affinity DataIC50: 2.20nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,G2019S](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM481879(US10913744, Compound 18 | (4-((5-chloro-4-(methyla...)
Affinity DataIC50: 2.20nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM481879(US10913744, Compound 18 | (4-((5-chloro-4-(methyla...)
Affinity DataIC50: 6.5nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM481879(US10913744, Compound 18 | (4-((5-chloro-4-(methyla...)
Affinity DataIC50: 6.60nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
US Patent

LigandPNGBDBM481879(US10913744, Compound 18 | (4-((5-chloro-4-(methyla...)
Affinity DataIC50: 19.8nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,A2016T](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM481879(US10913744, Compound 18 | (4-((5-chloro-4-(methyla...)
Affinity DataIC50: 47.7nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
US Patent