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 = 'BDBM548588'
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