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 = 'BDBM548568'
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM548568(WO2022093881, Ex-10.77)
Show SMILES C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)F)ncc2cc1Cl
Show InChI InChI=1S/C23H26ClF3N4O2/c1-23(12-33-11-19(23)25)31-4-2-30(3-5-31)18-7-13-8-20(28-10-14(13)6-17(18)24)29-22(32)16-9-15(16)21(26)27/h6-8,10,15-16,19,21H,2-5,9,11-12H2,1H3,(H,28,29,32)/t15-,16-,19-,23+/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