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 = 'BDBM548553'
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM548553(WO2022093881, Ex-10.62)
Show SMILES Cn1ncc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@@]4(C)COC[C@H]4F)c(Cl)cc3cn2)c1C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O2/c1-26(14-40-13-22(26)29)38-5-3-37(4-6-38)21-8-15-9-23(33-11-16(15)7-20(21)28)35-25(39)18-10-17(18)19-12-34-36(2)24(19)27(30,31)32/h7-9,11-12,17-18,22H,3-6,10,13-14H2,1-2H3,(H,33,35,39)/t17-,18-,22-,26+/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