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Compile Data Set for Download or QSAR

Found 309 hits with Last Name = 'chen' and Initial = 'ij'   
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))
BDBM254931
PNG
(US9499542, 14 | US9675594, 14)
Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)
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0.0600n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254931
PNG
(US9499542, 14 | US9675594, 14)
Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)
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0.100n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582714
PNG
(CHEMBL5075978)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)nc2n1C |r|
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582715
PNG
(CHEMBL5091909)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C |r|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582714
PNG
(CHEMBL5075978)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)nc2n1C |r|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582707
PNG
(CHEMBL5086513)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)ncnc2n1C |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582715
PNG
(CHEMBL5091909)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C |r|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254929
PNG
(US9499542, 12 | US9675594, 12)
Show SMILES Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
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0.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582707
PNG
(CHEMBL5086513)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)ncnc2n1C |r|
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0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582712
PNG
(CHEMBL5090953)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nccc2n1C |r|
PDB

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0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582719
PNG
(CHEMBL5083563)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3C)nc2n1C |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582720
PNG
(CHEMBL5073900)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3c[nH]nc3C)nc2n1C |r|
PDB

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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254929
PNG
(US9499542, 12 | US9675594, 12)
Show SMILES Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
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2n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582718
PNG
(CHEMBL5089194)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3C)nc2n1C |r|
PDB

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582720
PNG
(CHEMBL5073900)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3c[nH]nc3C)nc2n1C |r|
PDB

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582712
PNG
(CHEMBL5090953)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nccc2n1C |r|
PDB

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582719
PNG
(CHEMBL5083563)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3C)nc2n1C |r|
PDB

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582718
PNG
(CHEMBL5089194)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3C)nc2n1C |r|
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
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3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582709
PNG
(CHEMBL5078779)
Show SMILES C[C@@H]1CCCN1c1[nH]c2ncnc(N)c2c1C#N |r|
PDB

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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254918
PNG
(US9499542, 1 | US9675594, 1)
Show SMILES COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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6n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582713
PNG
(CHEMBL5089834)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(N)nc2n1C |r|
PDB

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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582716
PNG
(CHEMBL5073457)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3ccn(C)n3)cc2n1C |r|
PDB

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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254918
PNG
(US9499542, 1 | US9675594, 1)
Show SMILES COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
PDB

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6n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582703
PNG
(CHEMBL5093192)
Show SMILES Cn1c(c(C#N)c2c(N)ncnc12)-c1cccc(F)c1F |(8.25,-20.75,;7.77,-19.29,;8.68,-18.04,;7.77,-16.79,;8.25,-15.33,;8.72,-13.87,;6.3,-17.27,;4.97,-16.5,;4.96,-14.96,;3.64,-17.27,;3.64,-18.82,;4.97,-19.59,;6.3,-18.81,;10.22,-18.04,;10.97,-16.71,;12.51,-16.7,;13.29,-18.04,;12.52,-19.37,;13.29,-20.71,;10.98,-19.37,;10.2,-20.71,)|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
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12n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582713
PNG
(CHEMBL5089834)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(N)nc2n1C |r|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250336
PNG
(CHEMBL4068861)
Show SMILES Oc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)
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13n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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13n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582716
PNG
(CHEMBL5073457)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3ccn(C)n3)cc2n1C |r|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582703
PNG
(CHEMBL5093192)
Show SMILES Cn1c(c(C#N)c2c(N)ncnc12)-c1cccc(F)c1F |(8.25,-20.75,;7.77,-19.29,;8.68,-18.04,;7.77,-16.79,;8.25,-15.33,;8.72,-13.87,;6.3,-17.27,;4.97,-16.5,;4.96,-14.96,;3.64,-17.27,;3.64,-18.82,;4.97,-19.59,;6.3,-18.81,;10.22,-18.04,;10.97,-16.71,;12.51,-16.7,;13.29,-18.04,;12.52,-19.37,;13.29,-20.71,;10.98,-19.37,;10.2,-20.71,)|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582709
PNG
(CHEMBL5078779)
Show SMILES C[C@@H]1CCCN1c1[nH]c2ncnc(N)c2c1C#N |r|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250338
PNG
(CHEMBL4077186)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccccc3)c12
Show InChI InChI=1S/C14H9N3/c15-8-11-9-17-14-13(11)12(6-7-16-14)10-4-2-1-3-5-10/h1-7,9H,(H,16,17)
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23n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250344
PNG
(CHEMBL4088961)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C14H8ClN3/c15-11-3-1-2-9(6-11)12-4-5-17-14-13(12)10(7-16)8-18-14/h1-6,8H,(H,17,18)
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23n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250338
PNG
(CHEMBL4077186)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccccc3)c12
Show InChI InChI=1S/C14H9N3/c15-8-11-9-17-14-13(11)12(6-7-16-14)10-4-2-1-3-5-10/h1-7,9H,(H,16,17)
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23n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250336
PNG
(CHEMBL4068861)
Show SMILES Oc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)
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27n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582702
PNG
(CHEMBL5092519)
Show SMILES Cn1c(c(C#N)c2c(N)ncnc12)-c1ccccc1
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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31n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582702
PNG
(CHEMBL5092519)
Show SMILES Cn1c(c(C#N)c2c(N)ncnc12)-c1ccccc1
PDB

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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582706
PNG
(CHEMBL5083940)
Show SMILES Cn1c(N2CCCC2)c(C#N)c2c(N)ncnc12
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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60n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582717
PNG
(CHEMBL5070699)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3nn(C)cc3C)cc2n1C |r|
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582717
PNG
(CHEMBL5070699)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3nn(C)cc3C)cc2n1C |r|
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75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582711
PNG
(CHEMBL5080604)
Show SMILES C[C@@H]1CCCN1c1c(C(N)=O)c2c(N)ncnc2n1C |r|
PDB

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77n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250344
PNG
(CHEMBL4088961)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C14H8ClN3/c15-11-3-1-2-9(6-11)12-4-5-17-14-13(12)10(7-16)8-18-14/h1-6,8H,(H,17,18)
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81n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250346
PNG
(CHEMBL4075407)
Show SMILES Cc1ccc(cc1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-2-4-11(5-3-10)13-6-7-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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95n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582705
PNG
(CHEMBL5091544)
Show SMILES CN(C)c1c(C#N)c2c(N)ncnc2n1C
PDB

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111n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50582700
PNG
(CHEMBL5093047)
Show SMILES Cn1c(NCc2ccccc2F)c(C#N)c2c(N)ncnc12
PDB

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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50250346
PNG
(CHEMBL4075407)
Show SMILES Cc1ccc(cc1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-2-4-11(5-3-10)13-6-7-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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PubMed
124n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...


J Med Chem 60: 8945-8962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR
More data for this
Ligand-Target Pair
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