BDBM548522 WO2022093881, Ex-10.31::WO2022093881, Ex-10.69

SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C3CCOCC3)ncc2cc1Cl

InChI Key InChIKey=WDTCEMQXDLLGNQ-VAMBPCRVSA-N

Data  2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 548522   

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

WIPO
LigandPNGBDBM548522(WO2022093881, Ex-10.31 | WO2022093881, Ex-10.69)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C3CCOCC3)ncc2cc1Cl
Show InChI InChI=1S/C27H35ClN4O4/c1-27(16-36-15-24(27)33)32-6-4-31(5-7-32)23-11-18-12-25(29-14-19(18)10-22(23)28)30-26(34)21-13-20(21)17-2-8-35-9-3-17/h10-12,14,17,20-21,24,33H,2-9,13,15-16H2,1H3,(H,29,30,34)/t20-,21-,24+,27-/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
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM548522(WO2022093881, Ex-10.31 | WO2022093881, Ex-10.69)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C3CCOCC3)ncc2cc1Cl
Show InChI InChI=1S/C27H35ClN4O4/c1-27(16-36-15-24(27)33)32-6-4-31(5-7-32)23-11-18-12-25(29-14-19(18)10-22(23)28)30-26(34)21-13-20(21)17-2-8-35-9-3-17/h10-12,14,17,20-21,24,33H,2-9,13,15-16H2,1H3,(H,29,30,34)/t20-,21-,24+,27-/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