BDBM548590 WO2022093881, Ex-11.3

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

InChI Key InChIKey=QPVTWCATODQLQQ-NRDYOIHQSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 548590   

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

WIPO
LigandPNGBDBM548590(WO2022093881, Ex-11.3)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C28H32ClN5O3/c1-17-25(21-5-3-4-6-30-21)26(17)27(36)32-24-13-18-12-22(20(29)11-19(18)14-31-24)33-7-9-34(10-8-33)28(2)16-37-15-23(28)35/h3-6,11-14,17,23,25-26,35H,7-10,15-16H2,1-2H3,(H,31,32,36)/t17-,23+,25+,26-,28-/m1/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