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9 similar compounds to monomer 50059347

Compile data set for download or QSAR
Wt: 339.3
BDBM50359804
Wt: 305.3
BDBM50059277
Purchase
Wt: 319.3
BDBM50059281
Wt: 319.3
BDBM50059311
Wt: 295.3
BDBM50059312
Wt: 323.3
BDBM50059317
Wt: 314.7
BDBM50059345
Wt: 310.3
BDBM50059346
Wt: 306.3
BDBM50059417

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50359804,50059277,50059281,50059311,50059312,50059317,50059345,50059346,50059417   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 3n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359804
PNG
(CHEMBL1928673)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059311
PNG
(CHEMBL3393443 | US9156845, 79)
Show SMILES C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m1/s1
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n/an/a 18n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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n/an/a 8n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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n/an/a 28n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059312
PNG
(CHEMBL3393441 | US9156845, 149)
Show SMILES Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H17N5O/c1-11-6-12(8-17-7-11)13-9-18-15-14(13)16(20-10-19-15)21-2-4-22-5-3-21/h6-10H,2-5H2,1H3,(H,18,19,20)
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Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 11n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059281
PNG
(CHEMBL3393444 | US9156845, 6)
Show SMILES C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 37n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059311
PNG
(CHEMBL3393443 | US9156845, 79)
Show SMILES C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m1/s1
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n/an/a 69n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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n/an/a 13n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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US Patent
n/an/a 46n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059312
PNG
(CHEMBL3393441 | US9156845, 149)
Show SMILES Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H17N5O/c1-11-6-12(8-17-7-11)13-9-18-15-14(13)16(20-10-19-15)21-2-4-22-5-3-21/h6-10H,2-5H2,1H3,(H,18,19,20)
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n/an/a 30n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359804
PNG
(CHEMBL1928673)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)
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n/an/a 430n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase MST4


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 178n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MST4 using Ser/Thr peptide 7 substrate after 60 mins by Z-Lyte assay


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase MST4


(Homo sapiens (Human))
BDBM50059281
PNG
(CHEMBL3393444 | US9156845, 6)
Show SMILES C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MST4 using Ser/Thr peptide 7 substrate after 60 mins by Z-Lyte assay


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 in human PBMCs by ActivX KiNativ method


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MST2 using Ser/Thr peptide 7 substrate after 45 mins by Z-Lyte assay


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50059281
PNG
(CHEMBL3393444 | US9156845, 6)
Show SMILES C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MST2 using Ser/Thr peptide 7 substrate after 45 mins by Z-Lyte assay


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059281
PNG
(CHEMBL3393444 | US9156845, 6)
Show SMILES C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059311
PNG
(CHEMBL3393443 | US9156845, 79)
Show SMILES C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059312
PNG
(CHEMBL3393441 | US9156845, 149)
Show SMILES Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H17N5O/c1-11-6-12(8-17-7-11)13-9-18-15-14(13)16(20-10-19-15)21-2-4-22-5-3-21/h6-10H,2-5H2,1H3,(H,18,19,20)
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n/an/a 211n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059317
PNG
(CHEMBL3393357)
Show SMILES Fc1ccc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H14FN5O/c18-14-2-1-11(7-12(14)8-19)13-9-20-16-15(13)17(22-10-21-16)23-3-5-24-6-4-23/h1-2,7,9-10H,3-6H2,(H,20,21,22)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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n/an/a 144n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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n/an/a 882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059312
PNG
(CHEMBL3393441 | US9156845, 149)
Show SMILES Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H17N5O/c1-11-6-12(8-17-7-11)13-9-18-15-14(13)16(20-10-19-15)21-2-4-22-5-3-21/h6-10H,2-5H2,1H3,(H,18,19,20)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059417
PNG
(CHEMBL3393361)
Show SMILES N#Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14N6O/c17-6-11-5-12(8-18-7-11)13-9-19-15-14(13)16(21-10-20-15)22-1-3-23-4-2-22/h5,7-10H,1-4H2,(H,19,20,21)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059317
PNG
(CHEMBL3393357)
Show SMILES Fc1ccc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H14FN5O/c18-14-2-1-11(7-12(14)8-19)13-9-20-16-15(13)17(22-10-21-16)23-3-5-24-6-4-23/h1-2,7,9-10H,3-6H2,(H,20,21,22)
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n/an/a 920n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059281
PNG
(CHEMBL3393444 | US9156845, 6)
Show SMILES C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059311
PNG
(CHEMBL3393443 | US9156845, 79)
Show SMILES C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059312
PNG
(CHEMBL3393441 | US9156845, 149)
Show SMILES Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H17N5O/c1-11-6-12(8-17-7-11)13-9-18-15-14(13)16(20-10-19-15)21-2-4-22-5-3-21/h6-10H,2-5H2,1H3,(H,18,19,20)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059417
PNG
(CHEMBL3393361)
Show SMILES N#Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14N6O/c17-6-11-5-12(8-18-7-11)13-9-19-15-14(13)16(21-10-20-15)22-1-3-23-4-2-22/h5,7-10H,1-4H2,(H,19,20,21)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059317
PNG
(CHEMBL3393357)
Show SMILES Fc1ccc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H14FN5O/c18-14-2-1-11(7-12(14)8-19)13-9-20-16-15(13)17(22-10-21-16)23-3-5-24-6-4-23/h1-2,7,9-10H,3-6H2,(H,20,21,22)
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n/an/a 117n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059345
PNG
(CHEMBL3393355 | US9156845, 83)
Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059277
PNG
(CHEMBL3393348 | US9156845, 4)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059281
PNG
(CHEMBL3393444 | US9156845, 6)
Show SMILES C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c1-12-10-23(5-6-24-12)18-16-15(9-20-17(16)21-11-22-18)14-4-2-3-13(7-14)8-19/h2-4,7,9,11-12H,5-6,10H2,1H3,(H,20,21,22)/t12-/m0/s1
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US Patent
n/an/a 7n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair