BDBM620898 (3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[5-methyl-1-(2,2,2- trifluoroethyl)-1H-pyrazol-4- yl]amino}quinazolin-7- yl)piperazin-1-yl]oxolan-3-ol::US20230303540, Example Ex-6.32::US20230303540, Example Ex-6.37

SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1CC(F)(F)F

InChI Key InChIKey=MRKDILDWEVFEFF-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 = 620898   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM620898(US20230303540, Example Ex-6.37 | (3S,4S) or (3R,4R...)
Affinity DataIC50: 0.608nMAssay Description:The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen technology from Life Technologies Corporation (Carlsbad, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2023
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM620898(US20230303540, Example Ex-6.37 | (3S,4S) or (3R,4R...)
Affinity DataIC50: 6.35nMAssay Description:The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen technology from Life Technologies Corporation (Carlsbad, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2023
Entry Details
US Patent