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PubMed code 23454015

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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


(Homo sapiens (Human))
BDBM50432045
PNG
(CHEMBL2348963)
Show SMILES Clc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Show InChI InChI=1S/C14H8ClN5S2/c15-9-2-1-3-10(6-9)22-13-5-4-12-17-18-14(20(12)19-13)11-7-16-8-21-11/h1-8H
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n/an/a 31n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432046
PNG
(CHEMBL2348962)
Show SMILES Brc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Show InChI InChI=1S/C14H8BrN5S2/c15-9-2-1-3-10(6-9)22-13-5-4-12-17-18-14(20(12)19-13)11-7-16-8-21-11/h1-8H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432065
PNG
(CHEMBL2348944)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1
Show InChI InChI=1S/C15H9F3N6S/c16-15(17,18)9-2-1-3-10(8-9)25-13-5-4-12-21-22-14(24(12)23-13)11-6-7-19-20-11/h1-8H,(H,19,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432064
PNG
(CHEMBL2348945)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Show InChI InChI=1S/C15H8F3N5S2/c16-15(17,18)9-2-1-3-10(6-9)25-13-5-4-12-20-21-14(23(12)22-13)11-7-19-8-24-11/h1-8H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432042
PNG
(CHEMBL2348966)
Show SMILES CC(C)(C)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Show InChI InChI=1S/C18H17N5S2/c1-18(2,3)12-5-4-6-13(9-12)25-16-8-7-15-20-21-17(23(15)22-16)14-10-19-11-24-14/h4-11H,1-3H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432071
PNG
(CHEMBL2348938)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccs4)n3n2)c1
Show InChI InChI=1S/C16H9F3N4S2/c17-16(18,19)10-3-1-4-11(9-10)25-14-7-6-13-20-21-15(23(13)22-14)12-5-2-8-24-12/h1-9H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432066
PNG
(CHEMBL2348943)
Show SMILES COC(=O)C(C)Sc1ccc2ncc(-c3cccs3)n2n1
Show InChI InChI=1S/C14H13N3O2S2/c1-9(14(18)19-2)21-13-6-5-12-15-8-10(17(12)16-13)11-4-3-7-20-11/h3-9H,1-2H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432063
PNG
(CHEMBL2348946)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4nccs4)n3n2)c1
Show InChI InChI=1S/C15H8F3N5S2/c16-15(17,18)9-2-1-3-10(8-9)25-12-5-4-11-20-21-13(23(11)22-12)14-19-6-7-24-14/h1-8H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432037
PNG
(CHEMBL2348971)
Show SMILES CC(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
Show InChI InChI=1S/C12H11N5OS2/c1-7(11(13)18)20-10-5-4-9-14-15-12(17(9)16-10)8-3-2-6-19-8/h2-7H,1H3,(H2,13,18)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432070
PNG
(CHEMBL2348939)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3n2)c1
Show InChI InChI=1S/C17H10F3N3S2/c18-17(19,20)11-3-1-4-12(9-11)25-16-7-6-15-21-10-13(23(15)22-16)14-5-2-8-24-14/h1-10H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432040
PNG
(CHEMBL2348968)
Show SMILES S(c1ccc2nnc(-c3cncs3)n2n1)c1ncccn1
Show InChI InChI=1S/C12H7N7S2/c1-4-14-12(15-5-1)21-10-3-2-9-16-17-11(19(9)18-10)8-6-13-7-20-8/h1-7H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432043
PNG
(CHEMBL2348965)
Show SMILES COc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Show InChI InChI=1S/C15H11N5OS2/c1-21-10-3-2-4-11(7-10)23-14-6-5-13-17-18-15(20(13)19-14)12-8-16-9-22-12/h2-9H,1H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432062
PNG
(CHEMBL2348947)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cscn4)n3n2)c1
Show InChI InChI=1S/C15H8F3N5S2/c16-15(17,18)9-2-1-3-10(6-9)25-13-5-4-12-20-21-14(23(12)22-13)11-7-24-8-19-11/h1-8H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432038
PNG
(CHEMBL2348970)
Show SMILES S(c1ccccc1)c1ccc2nnc(-c3cncs3)n2n1
Show InChI InChI=1S/C14H9N5S2/c1-2-4-10(5-3-1)21-13-7-6-12-16-17-14(19(12)18-13)11-8-15-9-20-11/h1-9H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432060
PNG
(CHEMBL2348949)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccn4)n3n2)c1
Show InChI InChI=1S/C17H10F3N5S/c18-17(19,20)11-4-3-5-12(10-11)26-15-8-7-14-22-23-16(25(14)24-15)13-6-1-2-9-21-13/h1-10H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432044
PNG
(CHEMBL2348964)
Show SMILES Fc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Show InChI InChI=1S/C14H8FN5S2/c15-9-2-1-3-10(6-9)22-13-5-4-12-17-18-14(20(12)19-13)11-7-16-8-21-11/h1-8H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432039
PNG
(CHEMBL2348969)
Show SMILES FC(F)(F)c1ccnc(Sc2ccc3nnc(-c4cncs4)n3n2)n1
Show InChI InChI=1S/C13H6F3N7S2/c14-13(15,16)8-3-4-18-12(19-8)25-10-2-1-9-20-21-11(23(9)22-10)7-5-17-6-24-7/h1-6H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432059
PNG
(CHEMBL2348950)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccnc4)n3n2)c1
Show InChI InChI=1S/C17H10F3N5S/c18-17(19,20)12-4-1-5-13(9-12)26-15-7-6-14-22-23-16(25(14)24-15)11-3-2-8-21-10-11/h1-10H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432072
PNG
(CHEMBL2348936)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
Show InChI InChI=1S/C18H11F3N4S/c19-18(20,21)13-7-4-8-14(11-13)26-16-10-9-15-22-23-17(25(15)24-16)12-5-2-1-3-6-12/h1-11H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432056
PNG
(CHEMBL2348953)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccc(Cl)c4)n3n2)c1
Show InChI InChI=1S/C18H10ClF3N4S/c19-13-5-1-3-11(9-13)17-24-23-15-7-8-16(25-26(15)17)27-14-6-2-4-12(10-14)18(20,21)22/h1-10H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432041
PNG
(CHEMBL2348967)
Show SMILES FC(F)(F)Oc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
Show InChI InChI=1S/C15H8F3N5OS2/c16-15(17,18)24-9-2-1-3-10(6-9)26-13-5-4-12-20-21-14(23(12)22-13)11-7-19-8-25-11/h1-8H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432055
PNG
(CHEMBL2348954)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccc(c4)N4CCNCC4)n3n2)c1
Show InChI InChI=1S/C22H19F3N6S/c23-22(24,25)16-4-2-6-18(14-16)32-20-8-7-19-27-28-21(31(19)29-20)15-3-1-5-17(13-15)30-11-9-26-10-12-30/h1-8,13-14,26H,9-12H2
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n/an/a 314n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432034
PNG
(CHEMBL2348974)
Show SMILES CCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(=O)OC
Show InChI InChI=1S/C14H14N4O2S2/c1-3-9(14(19)20-2)22-12-7-6-11-15-16-13(18(11)17-12)10-5-4-8-21-10/h4-9H,3H2,1-2H3
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n/an/a 338n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432031
PNG
(CHEMBL2348977)
Show SMILES CC(Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1
Show InChI InChI=1S/C13H10N6OS2/c1-8(13-17-14-7-20-13)22-11-5-4-10-15-16-12(19(10)18-11)9-3-2-6-21-9/h2-8H,1H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432036
PNG
(CHEMBL2348972)
Show SMILES COC(=O)[C@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 |r|
Show InChI InChI=1S/C13H12N4O2S2/c1-8(13(18)19-2)21-11-6-5-10-14-15-12(17(10)16-11)9-4-3-7-20-9/h3-8H,1-2H3/t8-/m0/s1
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n/an/a 458n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432035
PNG
(CHEMBL2348973)
Show SMILES COC(=O)[C@@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 |r|
Show InChI InChI=1S/C13H12N4O2S2/c1-8(13(18)19-2)21-11-6-5-10-14-15-12(17(10)16-11)9-4-3-7-20-9/h3-8H,1-2H3/t8-/m1/s1
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n/an/a 463n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432035
PNG
(CHEMBL2348973)
Show SMILES COC(=O)[C@@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 |r|
Show InChI InChI=1S/C13H12N4O2S2/c1-8(13(18)19-2)21-11-6-5-10-14-15-12(17(10)16-11)9-4-3-7-20-9/h3-8H,1-2H3/t8-/m1/s1
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n/an/a 535n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432061
PNG
(CHEMBL2348948)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4sccc4Br)n3n2)c1
Show InChI InChI=1S/C16H8BrF3N4S2/c17-11-6-7-25-14(11)15-22-21-12-4-5-13(23-24(12)15)26-10-3-1-2-9(8-10)16(18,19)20/h1-8H
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432054
PNG
(CHEMBL2348955)
Show SMILES Fc1ccc(cc1)-c1nnc2ccc(Sc3cccc(c3)C(F)(F)F)nn12
Show InChI InChI=1S/C18H10F4N4S/c19-13-6-4-11(5-7-13)17-24-23-15-8-9-16(25-26(15)17)27-14-3-1-2-12(10-14)18(20,21)22/h1-10H
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n/an/a 674n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432058
PNG
(CHEMBL2348951)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccncc4)n3n2)c1
Show InChI InChI=1S/C17H10F3N5S/c18-17(19,20)12-2-1-3-13(10-12)26-15-5-4-14-22-23-16(25(14)24-15)11-6-8-21-9-7-11/h1-10H
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n/an/a 859n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432053
PNG
(CHEMBL2348956)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(C4CC4)n3n2)c1
Show InChI InChI=1S/C15H11F3N4S/c16-15(17,18)10-2-1-3-11(8-10)23-13-7-6-12-19-20-14(9-4-5-9)22(12)21-13/h1-3,6-9H,4-5H2
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n/an/a 994n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432033
PNG
(CHEMBL2348975)
Show SMILES CC(C)C(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
Show InChI InChI=1S/C14H15N5OS2/c1-8(2)12(13(15)20)22-11-6-5-10-16-17-14(19(10)18-11)9-4-3-7-21-9/h3-8,12H,1-2H3,(H2,15,20)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432052
PNG
(CHEMBL2346687)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCCC4)n3n2)c1
Show InChI InChI=1S/C17H15F3N4S/c18-17(19,20)12-6-3-7-13(10-12)25-15-9-8-14-21-22-16(24(14)23-15)11-4-1-2-5-11/h3,6-11H,1-2,4-5H2
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n/an/a 1.55E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432030
PNG
(CHEMBL2348978)
Show SMILES CC(Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1
Show InChI InChI=1S/C16H13ClN6S/c1-10(13-7-8-18-19-13)24-15-6-5-14-20-21-16(23(14)22-15)11-3-2-4-12(17)9-11/h2-10H,1H3,(H,18,19)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432032
PNG
(CHEMBL2348976)
Show SMILES CC(C)(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
Show InChI InChI=1S/C13H13N5OS2/c1-13(2,12(14)19)21-10-6-5-9-15-16-11(18(9)17-10)8-4-3-7-20-8/h3-7H,1-2H3,(H2,14,19)
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n/an/a 2.42E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432021
PNG
(CHEMBL2349091)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)c1ccc2nnc(-c3ccccc3)n2n1
Show InChI InChI=1S/C18H11F3N4OS/c19-18(20,21)13-7-4-8-14(11-13)27(26)16-10-9-15-22-23-17(25(15)24-16)12-5-2-1-3-6-12/h1-11H
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n/an/a 2.58E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432047
PNG
(CHEMBL2348961)
Show SMILES FC(F)(F)c1ccccc1Sc1ccc2nnc(-c3ccccc3)n2n1
Show InChI InChI=1S/C18H11F3N4S/c19-18(20,21)13-8-4-5-9-14(13)26-16-11-10-15-22-23-17(25(15)24-16)12-6-2-1-3-7-12/h1-11H
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n/an/a 3.17E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432057
PNG
(CHEMBL2348952)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccc4Cl)n3n2)c1
Show InChI InChI=1S/C18H10ClF3N4S/c19-14-7-2-1-6-13(14)17-24-23-15-8-9-16(25-26(15)17)27-12-5-3-4-11(10-12)18(20,21)22/h1-10H
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n/an/a 3.31E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432067
PNG
(CHEMBL2348942)
Show SMILES FC(F)(F)c1cccc(Sc2cn3c(cnc3cn2)-c2cccs2)c1
Show InChI InChI=1S/C17H10F3N3S2/c18-17(19,20)11-3-1-4-12(7-11)25-16-10-23-13(14-5-2-6-24-14)8-21-15(23)9-22-16/h1-10H
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n/an/a 3.40E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432029
PNG
(CHEMBL2348979)
Show SMILES Cc1cc2nnc(-c3cccs3)n2nc1Sc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N4S2/c1-10-8-14-21-22-15(13-6-3-7-25-13)24(14)23-16(10)26-12-5-2-4-11(9-12)17(18,19)20/h2-9H,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432025
PNG
(CHEMBL2348983)
Show SMILES FC(F)(F)c1cccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c1
Show InChI InChI=1S/C18H11F3N4O/c19-18(20,21)13-7-4-8-14(11-13)26-16-10-9-15-22-23-17(25(15)24-16)12-5-2-1-3-6-12/h1-11H
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n/an/a>4.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432068
PNG
(CHEMBL2348941)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3c2)c1
Show InChI InChI=1S/C18H11F3N2S2/c19-18(20,21)12-3-1-4-13(9-12)25-14-6-7-17-22-10-15(23(17)11-14)16-5-2-8-24-16/h1-11H
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n/an/a 4.22E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432020
PNG
(CHEMBL2349092)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc2nnc(-c3ccccc3)n2n1
Show InChI InChI=1S/C18H11F3N4O2S/c19-18(20,21)13-7-4-8-14(11-13)28(26,27)16-10-9-15-22-23-17(25(15)24-16)12-5-2-1-3-6-12/h1-11H
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n/an/a 4.73E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432051
PNG
(CHEMBL2348957)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCOCC4)n3n2)c1
Show InChI InChI=1S/C17H15F3N4OS/c18-17(19,20)12-2-1-3-13(10-12)26-15-5-4-14-21-22-16(24(14)23-15)11-6-8-25-9-7-11/h1-5,10-11H,6-9H2
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n/an/a 5.33E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432048
PNG
(CHEMBL2348960)
Show SMILES FC(F)(F)c1ccc(Sc2ccc3nnc(-c4ccccc4)n3n2)cc1
Show InChI InChI=1S/C18H11F3N4S/c19-18(20,21)13-6-8-14(9-7-13)26-16-11-10-15-22-23-17(25(15)24-16)12-4-2-1-3-5-12/h1-11H
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n/an/a 5.90E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432069
PNG
(CHEMBL2348940)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3cnc(-c4cccs4)n3n2)c1
Show InChI InChI=1S/C17H10F3N3S2/c18-17(19,20)11-3-1-4-13(9-11)25-15-7-6-12-10-21-16(23(12)22-15)14-5-2-8-24-14/h1-10H
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n/an/a 1.07E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432050
PNG
(CHEMBL2348958)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCNCC4)n3n2)c1
Show InChI InChI=1S/C17H16F3N5S/c18-17(19,20)12-2-1-3-13(10-12)26-15-5-4-14-22-23-16(25(14)24-15)11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432049
PNG
(CHEMBL2348959)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(Cc4cccs4)n3n2)c1
Show InChI InChI=1S/C17H11F3N4S2/c18-17(19,20)11-3-1-4-13(9-11)26-16-7-6-14-21-22-15(24(14)23-16)10-12-5-2-8-25-12/h1-9H,10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432023
PNG
(CHEMBL2349089)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1ccc2nnc(-c3ccccc3)n2n1
Show InChI InChI=1S/C19H11F3N4O/c20-19(21,22)14-8-4-7-13(11-14)17(27)15-9-10-16-23-24-18(26(16)25-15)12-5-2-1-3-6-12/h1-11H
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n/an/a 2.50E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432022
PNG
(CHEMBL2349090)
Show SMILES FC(F)(F)c1cccc(c1)C(C#N)c1ccc2nnc(-c3ccccc3)n2n1
Show InChI InChI=1S/C20H12F3N5/c21-20(22,23)15-8-4-7-14(11-15)16(12-24)17-9-10-18-25-26-19(28(18)27-17)13-5-2-1-3-6-13/h1-11,16H
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n/an/a 2.60E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432027
PNG
(CHEMBL2348981)
Show SMILES CCOC(=O)C(C)Sc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-22(27)15(2)29-21-18(16-10-6-4-7-11-16)14-19-23-24-20(26(19)25-21)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432024
PNG
(CHEMBL2348984)
Show SMILES FC(F)(F)c1cccc(Nc2ccc3nnc(-c4ccccc4)n3n2)c1
Show InChI InChI=1S/C18H12F3N5/c19-18(20,21)13-7-4-8-14(11-13)22-15-9-10-16-23-24-17(26(16)25-15)12-5-2-1-3-6-12/h1-11H,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432028
PNG
(CHEMBL2348980)
Show SMILES Cc1cc(Sc2cccc(c2)C(F)(F)F)nn2c(nnc12)-c1cccs1
Show InChI InChI=1S/C17H11F3N4S2/c1-10-8-14(26-12-5-2-4-11(9-12)17(18,19)20)23-24-15(10)21-22-16(24)13-6-3-7-25-13/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50432026
PNG
(CHEMBL2348982)
Show SMILES CCOC(=O)c1cc(Sc2cccc(c2)C(F)(F)F)nn2c(nnc12)-c1cccs1
Show InChI InChI=1S/C19H13F3N4O2S2/c1-2-28-18(27)13-10-15(30-12-6-3-5-11(9-12)19(20,21)22)25-26-16(13)23-24-17(26)14-7-4-8-29-14/h3-10H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1967-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.043
BindingDB Entry DOI: 10.7270/Q2P84D8N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%