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BDBM50165979 CHEMBL3798426

SMILES: CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F

InChI Key: InChIKey=UVRXIRXORRMSSY-UHFFFAOYNA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50165979   
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))
BDBM50165979
PNG
(CHEMBL3798426)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F
Show InChI InChI=1/C12H10F3N3OS2/c1-20-11-8-5(9(21-11)6-2-3-16-18-6)4-7(12(13,14)15)17-10(8)19/h2-3,7H,4H2,1H3,(H,16,18)(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
198n/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))
BDBM50165979
PNG
(CHEMBL3798426)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F
Show InChI InChI=1/C12H10F3N3OS2/c1-20-11-8-5(9(21-11)6-2-3-16-18-6)4-7(12(13,14)15)17-10(8)19/h2-3,7H,4H2,1H3,(H,16,18)(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/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