BDBM577581 2-((1-((S)-1-cyanoethyl)-3-isopropoxy-1H-pyrazol-4-yl)amino)-7-((3R,4S)-4-methyltetrahydrofuran-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carbonitrile::WO2022263472, Example 50

SMILES CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@H]3C)c2n1)[C@H](C)C#N

InChI Key InChIKey=NMXYDWJXPZEWMJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 = 577581   

LigandPNGBDBM577581(WO2022263472, Example 50 | 2-((1-((S)-1-cyanoethyl...)
Affinity DataIC50: 7nMAssay Description: LRRK2(human) is incubated with 50 mM HEPES pH 8.0, 0.2 mM EDTA, 0.01 %Brij-35, 1% (w/v) BSA, 5 mM DTT, 250 Mm RLGRDKYKTLRQIRQ, 10 mM Magnesium aceta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2022
Entry Details
WIPO WO2022263472