BDBM50582730 CHEMBL5087055

SMILES Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N

InChI Key InChIKey=QSDVZPULRUJSBC-UHFFFAOYSA-N

Data  8 IC50  4 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50582730   

LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(CHEMBL5087055)
Affinity DataIC50: 67nMAssay Description:Inhibition of LRRK2 WT expressed in human PBMCs measured by KiNativ profiling analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 1(Human)
Vernalis (R&D)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50582730BDBM50582730(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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed