BDBM548588 WO2022093881, Ex-11.1

SMILES C[C@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)c1ccccn1

InChI Key InChIKey=DQMNHFUGMCVGQT-GLBBNVBASA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 548588   

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM548588(WO2022093881, Ex-11.1)
Show SMILES C[C@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)c1ccccn1
Show InChI InChI=1S/C28H32ClN5O3/c1-27(23-5-3-4-6-30-23)14-20(27)26(36)32-25-13-18-12-22(21(29)11-19(18)15-31-25)33-7-9-34(10-8-33)28(2)17-37-16-24(28)35/h3-6,11-13,15,20,24,35H,7-10,14,16-17H2,1-2H3,(H,31,32,36)/t20-,24+,27+,28-/m0/s1
Affinity DataIC50: 0.0800nMAssay Description: The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed