BDBM50582730 CHEMBL5087055

SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@@H]4CCOC4)c3C)nc2n1C

InChI Key InChIKey=QSDVZPULRUJSBC-TZMCWYRMSA-N

Data  8 IC50  4 Kd

PDB links: 1 PDB ID matches this monomer.

  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 12 hits for monomerid = 50582730   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  12nMAssay Description:Inhibition of recombinant human GST tagged truncated LRRK2 G2019S mutant using fluorescein-labeled LRRKtide as substrate in presence of ATP preincuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  20nMAssay Description:Inhibition of recombinant human LRRK2 WT using fluorescein-labeled LRRKtide as substrate in presence of ATP preincubated for 50 mins followed by anti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  80nMAssay Description:Inhibition of LRRK2-pSer935 in LRRK2 G2019S mutant expressing human HEK293 cells and measured after 48 hrs by ICW assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  180nMAssay Description:Inhibition of LRRK2-pSer935 in LRRK2 WT expressing human HEK293 cells and measured after 48 hrs by ICW assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataKd:  3.70nMAssay Description:Binding affinity to human LRRK2 WT expressed in mammalian system assessed as dissociation constant measured at 1 uM by DiscoveRx KINOMEscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Mus musculus)
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  11nMAssay Description:Inhibition of LRRK2-WT in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blottingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataKd:  470nMAssay Description:Binding affinity to human FLT3 ITD, D835V (V592/Y969) mutant expressed in mammalian system assessed as dissociation constant measured at 1 uM by Disc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4-kinase beta(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataKd:  850nMAssay Description:Binding affinity to human PIK4CB (M1/M828) WT expressed in mammalian system assessed as dissociation constant measured at 1 uM by DiscoveRx KINOMEsca...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  67nMAssay Description:Inhibition of LRRK2 WT expressed in human PBMCs measured by KiNativ profiling analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 1(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of MAP3K1 expressed in human PBMCs measured by KiNativ profiling analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Mus musculus)
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataIC50:  16nMAssay Description:Inhibition of LRRK2-WT-pSER935 in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blottingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Affinity DataKd:  3.90nMAssay Description:Binding affinity to human LRRK2 (H970/E2527) G2019S mutant expressed in mammalian system assessed as dissociation constant measured at 1 uM by Discov...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed