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  16 IC50  6 Kd

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 482157   

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | US11370796, Compound L...)
Affinity DataIC50: 6nMAssay Description:Inhibition of LRRK2 G2019S mutant in HEK293 cell lysate measured after 15 mins in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | US11370796, Compound L...)
Affinity DataIC50: 13nMAssay Description:Inhibition of LRRK2 (1326 to 2527 residues) in HEK293 cell lysate measured after 15 mins in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
9/25/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetBromodomain testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,A2016T](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,G2019S](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | US11370796, Compound L...)
Affinity DataIC50: 6nMAssay Description:Inhibition of LRRK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM482157(LRRK2-IN-1 | BDBM50379529 | 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 Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)