BDBM548548 WO2022093881, Ex-10.57

SMILES C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(C)cc2cn1

InChI Key InChIKey=ZGTPNISTMQCMHX-OWLDQBFRSA-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 = 548548   

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

WIPO
LigandPNGBDBM548548(WO2022093881, Ex-10.57)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(C)cc2cn1
Show InChI InChI=1S/C28H35FN6O2/c1-17-11-20-14-30-24(31-27(36)26-18(2)25(26)21-5-6-33(4)32-21)13-19(20)12-22(17)34-7-9-35(10-8-34)28(3)16-37-15-23(28)29/h5-6,11-14,18,23,25-26H,7-10,15-16H2,1-4H3,(H,30,31,36)/t18-,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