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 = 'BDBM548599'
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM548599(WO2022093881, Ex-15.2)
Show SMILES C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1C)[C@]1(C)COC[C@@H]1O
Show InChI InChI=1S/C28H38N4O4/c1-18-10-21-14-29-25(30-26(34)22-13-28(22)4-8-35-9-5-28)12-20(21)11-23(18)32-7-6-31(15-19(32)2)27(3)17-36-16-24(27)33/h10-12,14,19,22,24,33H,4-9,13,15-17H2,1-3H3,(H,29,30,34)/t19-,22-,24-,27+/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