BDBM525553 5-(1-(6-(3- (hydroxymethyl)-4- methylpiperazin-1- yl)pyrimidin-4-yl)-1H- indazol-6- yl)spiro[2.3]hexane-5- carbonitrile, isomer 1::US11174248, Example 15::US11174248, Example 16

SMILES CN1CCN(CC1CO)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N

InChI Key InChIKey=PBVULHYKJNZMMV-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 525553   

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM525553(US11174248, Example 15 | 5-(1-(6-(3- (hydroxymethy...)
Affinity DataIC50: 3.80nMAssay Description: Assays were performed in the presence of 134 μM ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2022
Entry Details
Go to US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM525553(US11174248, Example 15 | 5-(1-(6-(3- (hydroxymethy...)
Affinity DataIC50: 1.20nMAssay Description: Assays were performed in the presence of 134 μM ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2022
Entry Details
Go to US Patent