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BDBM50456469 CHEMBL4207019

SMILES: CN(C)c1ccc(cc1)N=C1C(=O)Nc2ccccc12

InChI Key: InChIKey=DFWZUSLCIXGPOP-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50456469   
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))
BDBM50456469
PNG
(CHEMBL4207019)
Show SMILES CN(C)c1ccc(cc1)N=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)20/h3-10H,1-2H3,(H,17,18,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.79E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substr...


Eur J Med Chem 138: 328-342 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.060
BindingDB Entry DOI: 10.7270/Q2V40XTP
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50456469
PNG
(CHEMBL4207019)
Show SMILES CN(C)c1ccc(cc1)N=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)20/h3-10H,1-2H3,(H,17,18,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.11E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system using LRRK...


Eur J Med Chem 138: 328-342 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.060
BindingDB Entry DOI: 10.7270/Q2V40XTP
More data for this
Ligand-Target Pair