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PubMed code 23453068

Compile data set for download or QSAR
Found 25 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 (LRRK2)


(Homo sapiens (Human))
BDBM50431915
PNG
(CHEMBL2347824)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1cnn(C)c1)C#N
Show InChI InChI=1S/C17H17N5/c1-11(2)21-17-13(7-18)8-19-16-6-12(4-5-15(16)17)14-9-20-22(3)10-14/h4-6,8-11H,1-3H3,(H,19,21)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431914
PNG
(CHEMBL2347825)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(C)C)c(cnc2c1)C#N
Show InChI InChI=1S/C20H20N4O2S/c1-13(2)24-20-16(11-21)12-23-19-10-15(6-9-18(19)20)14-4-7-17(8-5-14)27(25,26)22-3/h4-10,12-13,22H,1-3H3,(H,23,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431906
PNG
(CHEMBL2347809)
Show SMILES Cn1cc(cn1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
Show InChI InChI=1S/C17H15N5/c1-21-11-14(10-20-21)12-3-4-15-16(7-12)19-9-13(8-18)17(15)22-5-2-6-22/h3-4,7,9-11H,2,5-6H2,1H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431911
PNG
(CHEMBL2347804)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1)C#N
Show InChI InChI=1S/C23H24N4O2S/c1-16(2)26-23-19(14-24)15-25-22-13-18(7-10-21(22)23)17-5-8-20(9-6-17)30(28,29)27-11-3-4-12-27/h5-10,13,15-16H,3-4,11-12H2,1-2H3,(H,25,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431913
PNG
(CHEMBL2347826)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C23H24N4O3S/c1-16(2)26-23-19(14-24)15-25-22-13-18(5-8-21(22)23)17-3-6-20(7-4-17)31(28,29)27-9-11-30-12-10-27/h3-8,13,15-16H,9-12H2,1-2H3,(H,25,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431905
PNG
(CHEMBL2347810)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-26(24,25)17-6-3-14(4-7-17)15-5-8-18-19(11-15)22-13-16(12-21)20(18)23-9-2-10-23/h3-8,11,13H,2,9-10H2,1H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431904
PNG
(CHEMBL2347811)
Show SMILES CN(C)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C19H17N3O2S/c1-22(2)19-15(11-20)12-21-18-10-14(6-9-17(18)19)13-4-7-16(8-5-13)25(3,23)24/h4-10,12H,1-3H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431912
PNG
(CHEMBL2347827)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1cnc(C)s1)C#N
Show InChI InChI=1S/C17H16N4S/c1-10(2)21-17-13(7-18)8-20-15-6-12(4-5-14(15)17)16-9-19-11(3)22-16/h4-6,8-10H,1-3H3,(H,20,21)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431917
PNG
(CHEMBL2347823)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C20H19N3O2S/c1-13(2)23-20-16(11-21)12-22-19-10-15(6-9-18(19)20)14-4-7-17(8-5-14)26(3,24)25/h4-10,12-13H,1-3H3,(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431910
PNG
(CHEMBL2347805)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C)C#N
Show InChI InChI=1S/C21H22N4O2S/c1-14(2)24-21-17(12-22)13-23-20-11-16(7-10-19(20)21)15-5-8-18(9-6-15)28(26,27)25(3)4/h5-11,13-14H,1-4H3,(H,23,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428719
PNG
(CHEMBL2333125)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C20H21N3O3S/c1-12(2)23-19-16-9-6-14(10-18(16)22-11-17(19)20(21)24)13-4-7-15(8-5-13)27(3,25)26/h4-12H,1-3H3,(H2,21,24)(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431898
PNG
(CHEMBL2347817)
Show SMILES C[C@@H](Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N)C1CC1
Show InChI InChI=1S/C22H21N3O2S/c1-14(15-3-4-15)25-22-18(12-23)13-24-21-11-17(7-10-20(21)22)16-5-8-19(9-6-16)28(2,26)27/h5-11,13-15H,3-4H2,1-2H3,(H,24,25)/t14-/m1/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431897
PNG
(CHEMBL2347818)
Show SMILES C[C@@H](Nc1c(cnc2cc(ccc12)-c1ccc(cc1)-n1ccoc1=O)C#N)C1CC1
Show InChI InChI=1S/C24H20N4O2/c1-15(16-2-3-16)27-23-19(13-25)14-26-22-12-18(6-9-21(22)23)17-4-7-20(8-5-17)28-10-11-30-24(28)29/h4-12,14-16H,2-3H2,1H3,(H,26,27)/t15-/m1/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431903
PNG
(CHEMBL2347812)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCCCC3)c(cnc2c1)C#N
Show InChI InChI=1S/C22H21N3O2S/c1-28(26,27)19-8-5-16(6-9-19)17-7-10-20-21(13-17)24-15-18(14-23)22(20)25-11-3-2-4-12-25/h5-10,13,15H,2-4,11-12H2,1H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431909
PNG
(CHEMBL2347806)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(nc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C19H18N4O2S/c1-12(2)23-19-15(9-20)11-21-17-8-13(4-6-16(17)19)14-5-7-18(22-10-14)26(3,24)25/h4-8,10-12H,1-3H3,(H,21,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431896
PNG
(CHEMBL2347819)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(C)=O
Show InChI InChI=1S/C21H22N2O3S/c1-13(2)23-21-18-10-7-16(11-20(18)22-12-19(21)14(3)24)15-5-8-17(9-6-15)27(4,25)26/h5-13H,1-4H3,(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431907
PNG
(CHEMBL2347808)
Show SMILES CC(C)Nc1c(cnc2ccccc12)C#N
Show InChI InChI=1S/C13H13N3/c1-9(2)16-13-10(7-14)8-15-12-6-4-3-5-11(12)13/h3-6,8-9H,1-2H3,(H,15,16)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431908
PNG
(CHEMBL2347807)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(Cl)s1)C#N
Show InChI InChI=1S/C17H14ClN3S/c1-10(2)21-17-12(8-19)9-20-14-7-11(3-4-13(14)17)15-5-6-16(18)22-15/h3-7,9-10H,1-2H3,(H,20,21)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431902
PNG
(CHEMBL2347813)
Show SMILES CN1CCN(CC1)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H22N4O2S/c1-25-9-11-26(12-10-25)22-18(14-23)15-24-21-13-17(5-8-20(21)22)16-3-6-19(7-4-16)29(2,27)28/h3-8,13,15H,9-12H2,1-2H3
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431901
PNG
(CHEMBL2347814)
Show SMILES CN(c1ccccc1)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H19N3O2S/c1-27(20-6-4-3-5-7-20)24-19(15-25)16-26-23-14-18(10-13-22(23)24)17-8-11-21(12-9-17)30(2,28)29/h3-14,16H,1-2H3
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n/an/a 450n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431900
PNG
(CHEMBL2347815)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(c(cnc2c1)C#N)-n1ccnc1
Show InChI InChI=1S/C20H14N4O2S/c1-27(25,26)17-5-2-14(3-6-17)15-4-7-18-19(10-15)23-12-16(11-21)20(18)24-9-8-22-13-24/h2-10,12-13H,1H3
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n/an/a 682n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431895
PNG
(CHEMBL2347820)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1nccs1
Show InChI InChI=1S/C22H21N3O2S2/c1-14(2)25-21-18-9-6-16(15-4-7-17(8-5-15)29(3,26)27)12-20(18)24-13-19(21)22-23-10-11-28-22/h4-14H,1-3H3,(H,24,25)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431916
PNG
(CHEMBL2347822)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1cnn(C)c1
Show InChI InChI=1S/C23H24N4O2S/c1-15(2)26-23-20-10-7-17(16-5-8-19(9-6-16)30(4,28)29)11-22(20)24-13-21(23)18-12-25-27(3)14-18/h5-15H,1-4H3,(H,24,26)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431899
PNG
(CHEMBL2347816)
Show SMILES CN(C(C)=O)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
Show InChI InChI=1S/C20H17N3O3S/c1-13(24)23(2)20-16(11-21)12-22-19-10-15(6-9-18(19)20)14-4-7-17(8-5-14)27(3,25)26/h4-10,12H,1-3H3
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n/an/a 2.33E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50431894
PNG
(CHEMBL2347821)
Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C1=NCCN1
Show InChI InChI=1S/C22H24N4O2S/c1-14(2)26-21-18-9-6-16(15-4-7-17(8-5-15)29(3,27)28)12-20(18)25-13-19(21)22-23-10-11-24-22/h4-9,12-14H,10-11H2,1-3H3,(H,23,24)(H,25,26)
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n/an/a 9.19E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%