BDBM548597 WO2022093881, Ex-14.2

SMILES C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl)[C@]1(C)COC[C@@H]1O

InChI Key InChIKey=KPUXXIGTGLYUHY-MSJOFUSHSA-N

Data  1 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 548597   

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

WIPO
LigandPNGBDBM548597(WO2022093881, Ex-14.2)
Show SMILES C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl)[C@]1(C)COC[C@@H]1O
Show InChI InChI=1S/C27H35ClN4O4/c1-17-14-31(26(2)16-36-15-23(26)33)5-6-32(17)22-10-18-11-24(29-13-19(18)9-21(22)28)30-25(34)20-12-27(20)3-7-35-8-4-27/h9-11,13,17,20,23,33H,3-8,12,14-16H2,1-2H3,(H,29,30,34)/t17-,20-,23-,26+/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