BDBM254929 US9499542, 12::US9675594, 12

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

InChI Key InChIKey=KWTGXMXCSXFSJX-UHFFFAOYSA-N

Data  2 KI  15 IC50  2 EC50

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 19 hits for monomerid = 254929   

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

Curated by ChEMBL
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataKi:  0.5nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataKi:  2nMAssay Description:Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in 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 [970-2527,G2019S](Homo sapiens (Human))
H. Lundbeck

US Patent
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataEC50:  17nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataEC50:  15nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  21nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  471nMAssay Description:Inhibition of human LRRK2 A2016T mutant phosphorylation at ser935 transfected in 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  468nMAssay Description:Inhibition of human LRRK2 A2016T mutant phosphorylation at ser935 transfected in 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  24nMAssay Description:Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  25nMAssay Description:Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  69nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  70nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  68nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  67nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  40nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  61nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  62nMAssay 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  21nMAssay 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 [G2019S](Homo sapiens (Human))
H. Lundbeck

US Patent
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  17nMpH: 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
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Affinity DataIC50:  15nMpH: 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