BDBM482157 BDBM50379529::LRRK2-IN-1::US11370796, Compound LRRK2-IN-1

SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1

InChI Key InChIKey=IWMCPJZTADUIFX-UHFFFAOYSA-N

Data  14 IC50  6 Kd

  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 20 hits for monomerid = 482157   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of recombinant LRRK2 (unknown origin) using gamma-32P-ATP assessed as LRRKtide substrate phosphorylation level by autoradiographyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  8.20nMAssay Description:After the compound was dissolved in 100% DMSO at 10 mM, it was serially diluted to the range of 1 μM to 10 μM using biochemical LRRK2 assay...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  7.90nMAssay Description:Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  6nMAssay Description:Inhibition of LRRK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  13nMAssay Description:Inhibition of wild type GST-tagged LRRK2 ((1326 to 2517 amino acids) (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  13nMAssay Description:Inhibition of wild-type LRRK2 expressed in HEK293 cells using nictide and [gamma32]ATP as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  20nMAssay Description:Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  20nMAssay Description:Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system using LRRK...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,A2016T,G2019S](Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  3.08E+3nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,G2019S](Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  6nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,A2016T](Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  2.45E+3nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527](Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  13nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  6nMAssay Description:Inhibition of GST-LRRK2 (1326 to 2527 residues) G2019S mutant (unknown origin) expressed in HEK293 cells incubated for 15 mins by cerenkov counting m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataKd:  69nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by MST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataKd:  66nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by qPCR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataKd:  194nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by ITC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataKd:  700nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by MST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataKd:  390nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by qPCR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataKd:  1.70E+3nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by ITC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Technische Universit£t Darmstadt

Curated by ChEMBL
LigandPNGBDBM482157(BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...)
Affinity DataIC50:  13nMAssay Description:Inhibition of wild-type GST-tagged LRRK2 (1326 to 2527 aa)(unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed