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PubMed code 23219325

Compile data set for download or QSAR
Found 36 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))
BDBM50428717
PNG
(CHEMBL2333127)
Show SMILES CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C20H22N4O3S/c1-4-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(21)25)13-5-8-15(9-6-13)28(3,26)27/h5-12H,4H2,1-3H3,(H2,21,25)(H,22,23)/t12-/m1/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428716
PNG
(CHEMBL2333128)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428701
PNG
(CHEMBL2333115)
Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O
Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428703
PNG
(CHEMBL2333113)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1
Show InChI InChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428696
PNG
(CHEMBL2333120)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)N1CCOCC1)C(N)=O
Show InChI InChI=1S/C16H21N5O2/c1-10(2)18-14-12-4-3-11(21-5-7-23-8-6-21)9-13(12)19-20-15(14)16(17)22/h3-4,9-10H,5-8H2,1-2H3,(H2,17,22)(H,18,19)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428698
PNG
(CHEMBL2333118)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O
Show InChI InChI=1S/C16H18N6O/c1-9(2)19-14-12-5-4-10(11-7-18-22(3)8-11)6-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428715
PNG
(CHEMBL2333129)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-8-5-12(6-9-15)13-7-10-16-17(11-13)23-24-19(20(21)25)18(16)22-14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,21,25)(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50428718
PNG
(CHEMBL2333126)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin) by TR-FRET assay in presence of ATP


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428700
PNG
(CHEMBL2333116)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cn[nH]c1)C(N)=O
Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-4-3-9(10-6-17-18-7-10)5-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428695
PNG
(CHEMBL2333121)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cnsc1)C(N)=O
Show InChI InChI=1S/C15H15N5OS/c1-8(2)18-13-11-4-3-9(10-6-17-22-7-10)5-12(11)19-20-14(13)15(16)21/h3-8H,1-2H3,(H2,16,21)(H,18,19)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428718
PNG
(CHEMBL2333126)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428704
PNG
(CHEMBL2333112)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C17H17N5O/c1-10(2)20-15-13-4-3-12(11-5-7-19-8-6-11)9-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428710
PNG
(CHEMBL2333134)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C20H20N4O4S/c1-29(26,27)15-5-2-12(3-6-15)13-4-7-16-17(10-13)23-24-19(20(21)25)18(16)22-14-8-9-28-11-14/h2-7,10,14H,8-9,11H2,1H3,(H2,21,25)(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50428716
PNG
(CHEMBL2333128)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin) by TR-FRET assay in presence of ATP


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428714
PNG
(CHEMBL2333130)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NCC3CC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-7-4-13(5-8-15)14-6-9-16-17(10-14)23-24-19(20(21)25)18(16)22-11-12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H2,21,25)(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50428715
PNG
(CHEMBL2333129)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-8-5-12(6-9-15)13-7-10-16-17(11-13)23-24-19(20(21)25)18(16)22-14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,21,25)(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50428696
PNG
(CHEMBL2333120)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)N1CCOCC1)C(N)=O
Show InChI InChI=1S/C16H21N5O2/c1-10(2)18-14-12-4-3-11(21-5-7-23-8-6-21)9-13(12)19-20-15(14)16(17)22/h3-4,9-10H,5-8H2,1-2H3,(H2,17,22)(H,18,19)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin) by TR-FRET assay in presence of ATP


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428712
PNG
(CHEMBL2333132)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOCC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C21H22N4O4S/c1-30(27,28)16-5-2-13(3-6-16)14-4-7-17-18(12-14)24-25-20(21(22)26)19(17)23-15-8-10-29-11-9-15/h2-7,12,15H,8-11H2,1H3,(H2,22,26)(H,23,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428702
PNG
(CHEMBL2333114)
Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C17H17N5O/c1-10(2)20-15-13-9-12(11-5-7-19-8-6-11)3-4-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
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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n/an/a 35n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428713
PNG
(CHEMBL2333131)
Show SMILES CCNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C18H18N4O3S/c1-3-20-16-14-9-6-12(10-15(14)21-22-17(16)18(19)23)11-4-7-13(8-5-11)26(2,24)25/h4-10H,3H2,1-2H3,(H2,19,23)(H,20,21)
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n/an/a 46n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428711
PNG
(CHEMBL2333133)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C19H18N4O3S/c1-27(25,26)14-7-2-11(3-8-14)12-4-9-15-16(10-12)22-23-18(19(20)24)17(15)21-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H2,20,24)(H,21,22)
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n/an/a 49n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428697
PNG
(CHEMBL2333119)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)N1CCN(C)CC1)C(N)=O
Show InChI InChI=1S/C17H24N6O/c1-11(2)19-15-13-5-4-12(23-8-6-22(3)7-9-23)10-14(13)20-21-16(15)17(18)24/h4-5,10-11H,6-9H2,1-3H3,(H2,18,24)(H,19,20)
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n/an/a 53n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50428716
PNG
(CHEMBL2333128)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428709
PNG
(CHEMBL2333135)
Show SMILES CNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C17H16N4O3S/c1-19-15-13-8-5-11(9-14(13)20-21-16(15)17(18)22)10-3-6-12(7-4-10)25(2,23)24/h3-9H,1-2H3,(H2,18,22)(H,19,20)
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n/an/a 119n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428706
PNG
(CHEMBL2333138)
Show SMILES NC(=O)c1nnc2cc(ccc2c1NCCCO)-c1ccncc1
Show InChI InChI=1S/C17H17N5O2/c18-17(24)16-15(20-6-1-9-23)13-3-2-12(10-14(13)21-22-16)11-4-7-19-8-5-11/h2-5,7-8,10,23H,1,6,9H2,(H2,18,24)(H,20,21)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50428718
PNG
(CHEMBL2333126)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22)
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n/an/a 127n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428708
PNG
(CHEMBL2333136)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C16H14N4O3S/c1-24(22,23)11-5-2-9(3-6-11)10-4-7-12-13(8-10)19-20-15(14(12)17)16(18)21/h2-8H,1H3,(H2,17,19)(H2,18,21)
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n/an/a 142n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428705
PNG
(CHEMBL2333139)
Show SMILES NC(=O)c1nnc2cc(ccc2c1NCCO)-c1ccncc1
Show InChI InChI=1S/C16H15N5O2/c17-16(23)15-14(19-7-8-22)12-2-1-11(9-13(12)20-21-15)10-3-5-18-6-4-10/h1-6,9,22H,7-8H2,(H2,17,23)(H,19,20)
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n/an/a 145n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428693
PNG
(CHEMBL2333123)
Show SMILES CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H24N4O3S/c1-13(14-4-5-14)24-20-18-11-8-16(12-19(18)25-26-21(20)22(27)23-2)15-6-9-17(10-7-15)30(3,28)29/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,25)/t13-/m1/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50428696
PNG
(CHEMBL2333120)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)N1CCOCC1)C(N)=O
Show InChI InChI=1S/C16H21N5O2/c1-10(2)18-14-12-4-3-11(21-5-7-23-8-6-21)9-13(12)19-20-15(14)16(17)22/h3-4,9-10H,5-8H2,1-2H3,(H2,17,22)(H,18,19)
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n/an/a 262n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428699
PNG
(CHEMBL2333117)
Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1cnn(C)c1)C(N)=O
Show InChI InChI=1S/C16H18N6O/c1-9(2)19-14-12-6-10(11-7-18-22(3)8-11)4-5-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428694
PNG
(CHEMBL2333122)
Show SMILES CNC(=O)c1nnc2cc(ccc2c1NC(C)C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H22N4O3S/c1-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(25)21-3)13-5-8-15(9-6-13)28(4,26)27/h5-12H,1-4H3,(H,21,25)(H,22,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50222572
PNG
(7-(4-(methylsulfonyl)phenyl)-4-(phenylamino)quinol...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C23H19N3O3S/c1-30(28,29)18-10-7-15(8-11-18)16-9-12-19-21(13-16)25-14-20(23(24)27)22(19)26-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,27)(H,25,26)
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n/an/a 781n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428707
PNG
(CHEMBL2333137)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O3S/c1-15(16-6-4-3-5-7-16)26-22-20-13-10-18(14-21(20)27-28-23(22)24(25)29)17-8-11-19(12-9-17)32(2,30)31/h3-15H,1-2H3,(H2,25,29)(H,26,27)/t15-/m1/s1
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n/an/a 965n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428692
PNG
(CHEMBL2333124)
Show SMILES CC(C)Nc1c(nnc2c(C)c(ccc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C18H19N5O/c1-10(2)21-16-14-5-4-13(12-6-8-20-9-7-12)11(3)15(14)22-23-17(16)18(19)24/h4-10H,1-3H3,(H2,19,24)(H,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%