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 = 'BDBM548557'
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM548557(WO2022093881, Ex-10.66)
Show SMILES CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C28H35ClN6O3/c1-4-19-25(21-5-6-33(3)32-21)26(19)27(37)31-24-13-17-12-22(20(29)11-18(17)14-30-24)34-7-9-35(10-8-34)28(2)16-38-15-23(28)36/h5-6,11-14,19,23,25-26,36H,4,7-10,15-16H2,1-3H3,(H,30,31,37)/t19-,23-,25+,26-,28+/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