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1 similar compounds to monomer 25308

Compile data set for download or QSAR
Wt: 324.4
BDBM50165994

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50165994   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165994
PNG
(CHEMBL3798316)
Show SMILES CC1(C)Cc2c(sc(c2C(=O)C1)S(C)(=O)=O)-c1cc[nH]n1
Show InChI InChI=1S/C14H16N2O3S2/c1-14(2)6-8-11(10(17)7-14)13(21(3,18)19)20-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.79E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165994
PNG
(CHEMBL3798316)
Show SMILES CC1(C)Cc2c(sc(c2C(=O)C1)S(C)(=O)=O)-c1cc[nH]n1
Show InChI InChI=1S/C14H16N2O3S2/c1-14(2)6-8-11(10(17)7-14)13(21(3,18)19)20-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.13E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair