Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]' and Ligand = 'BDBM548490'
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM548490(WO2022093881, Ex-9.20)
Show SMILES CCC1C(C1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3F)c(C)cc2cn1
Show InChI InChI=1S/C30H36FN5O2/c1-4-22-27(23-7-5-6-8-32-23)28(22)29(37)34-26-15-20-14-24(19(2)13-21(20)16-33-26)35-9-11-36(12-10-35)30(3)18-38-17-25(30)31/h5-8,13-16,22,25,27-28H,4,9-12,17-18H2,1-3H3,(H,33,34,37)
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