BDBM254931 US9499542, 14::US9675594, 14

SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12

InChI Key InChIKey=IQBHNQCIUDQGPV-UHFFFAOYSA-N

Data  2 KI  6 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

  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 10 hits for monomerid = 254931   

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

Curated by ChEMBL
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataKi:  0.0600nMAssay Description:Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...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
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataKi:  0.100nMAssay Description:Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S](Homo sapiens (Human))
H. Lundbeck

US Patent
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataEC50:  2nMAssay Description:In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [970-2527](Homo sapiens (Human))
H. Lundbeck

US Patent
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataEC50:  1nMAssay Description:In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataIC50:  18nMAssay Description:Inhibition of human LRRK2 G2019S mutant phosphorylation at ser935 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western 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
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataIC50:  3nMAssay Description:Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...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
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataIC50:  8nMAssay Description:Inhibition of human wild type LRRK2 phosphorylation at ser935 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western 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
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataIC50:  1nMpH: 8.5 T: 2°CAssay Description:LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
H. Lundbeck

US Patent
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataIC50:  2nMpH: 8.5 T: 2°CAssay Description:LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Affinity DataIC50:  17nMAssay Description:Inhibition of human wild type LRRK2 phosphorylation at ser935 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed