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22 similar compounds to monomer 185376

Compile data set for download or QSAR
Wt: 303.3
BDBM185426
Wt: 317.3
BDBM50059259
Wt: 289.3
BDBM50059350
Wt: 303.3
BDBM50059353
Wt: 317.3
BDBM50059368
Wt: 351.3
BDBM185480
Wt: 319.3
BDBM185485
Wt: 319.3
BDBM185501
Wt: 312.3
BDBM185502
Wt: 309.3
BDBM185508
Wt: 331.4
BDBM185370
Wt: 319.3
BDBM185372
Wt: 292.3
BDBM185373
Wt: 264.3
BDBM185375
Wt: 317.3
BDBM185397
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 185426,50059259,50059350,50059353,50059368,185480,185485,185501,185502,185508,185370,185372,185373,185375,185397   
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))
BDBM185370
PNG
(US9156845, 11)
Show SMILES CC1(C)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C20H21N5/c1-20(2)7-4-8-25(12-20)19-17-16(11-22-18(17)23-13-24-19)15-6-3-5-14(9-15)10-21/h3,5-6,9,11,13H,4,7-8,12H2,1-2H3,(H,22,23,24)
PDB

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US Patent
n/an/a 90n/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))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
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Article
PubMed
n/an/a 16n/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))
BDBM185372
PNG
(US9156845, 14)
Show SMILES O[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c19-8-12-3-1-4-13(7-12)15-9-20-17-16(15)18(22-11-21-17)23-6-2-5-14(24)10-23/h1,3-4,7,9,11,14,24H,2,5-6,10H2,(H,20,21,22)/t14-/m0/s1
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n/an/a 17n/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))
BDBM185373
PNG
(US9156845, 15)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C18H20N4/c1-13-6-5-9-22(11-13)18-16-15(14-7-3-2-4-8-14)10-19-17(16)20-12-21-18/h2-4,7-8,10,12-13H,5-6,9,11H2,1H3,(H,19,20,21)/t13-/m0/s1
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n/an/a 91n/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))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
PDB

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n/an/a 16n/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))
BDBM185375
PNG
(US9156845, 18)
Show SMILES C1CCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C16H16N4/c1-2-6-12(7-3-1)13-10-17-15-14(13)16(19-11-18-15)20-8-4-5-9-20/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18,19)
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n/an/a 71n/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))
BDBM185397
PNG
(US9156845, 41)
Show SMILES CC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)
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n/an/a 70n/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))
BDBM50059350
PNG
(CHEMBL3393344 | US9156845, 70)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C17H15N5/c18-9-12-4-3-5-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-6-1-2-7-22/h3-5,8,10-11H,1-2,6-7H2,(H,19,20,21)
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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))
BDBM185426
PNG
(US9156845, 71 | US9156845, 77)
Show SMILES CC1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5/c1-12-5-6-23(10-12)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)
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n/an/a 21n/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))
BDBM185426
PNG
(US9156845, 71 | US9156845, 77)
Show SMILES CC1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5/c1-12-5-6-23(10-12)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)
PDB

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US Patent
n/an/a 39n/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))
BDBM185480
PNG
(US9156845, 133)
Show SMILES OCC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H18FN5O/c20-19(11-26)4-6-25(7-5-19)18-16-15(10-22-17(16)23-12-24-18)14-3-1-2-13(8-14)9-21/h1-3,8,10,12,26H,4-7,11H2,(H,22,23,24)
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n/an/a 42n/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))
BDBM185485
PNG
(US9156845, 138)
Show SMILES OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c19-8-12-3-1-4-13(7-12)15-9-20-17-16(15)18(22-11-21-17)23-6-2-5-14(24)10-23/h1,3-4,7,9,11,14,24H,2,5-6,10H2,(H,20,21,22)
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n/an/a 10n/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))
BDBM185501
PNG
(US9156845, 155)
Show SMILES O[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c19-8-12-3-1-4-13(7-12)15-9-20-17-16(15)18(22-11-21-17)23-6-2-5-14(24)10-23/h1,3-4,7,9,11,14,24H,2,5-6,10H2,(H,20,21,22)/t14-/m1/s1
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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))
BDBM185502
PNG
(US9156845, 156)
Show SMILES OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12
Show InChI InChI=1S/C17H17FN4O/c18-12-4-1-3-11(7-12)14-8-19-16-15(14)17(21-10-20-16)22-6-2-5-13(23)9-22/h1,3-4,7-8,10,13,23H,2,5-6,9H2,(H,19,20,21)
PDB

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n/an/a 57n/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))
BDBM185508
PNG
(US9156845, 162)
Show SMILES Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
Show InChI InChI=1S/C17H19N5O/c1-11-5-12(7-18-6-11)14-8-19-16-15(14)17(21-10-20-16)22-4-2-3-13(23)9-22/h5-8,10,13,23H,2-4,9H2,1H3,(H,19,20,21)
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n/an/a 36n/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))
BDBM185370
PNG
(US9156845, 11)
Show SMILES CC1(C)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C20H21N5/c1-20(2)7-4-8-25(12-20)19-17-16(11-22-18(17)23-13-24-19)15-6-3-5-14(9-15)10-21/h3,5-6,9,11,13H,4,7-8,12H2,1-2H3,(H,22,23,24)
PDB

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US Patent
n/an/a 325n/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))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

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US Patent
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 G2019S


(Homo sapiens (Human))
BDBM185372
PNG
(US9156845, 14)
Show SMILES O[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c19-8-12-3-1-4-13(7-12)15-9-20-17-16(15)18(22-11-21-17)23-6-2-5-14(24)10-23/h1,3-4,7,9,11,14,24H,2,5-6,10H2,(H,20,21,22)/t14-/m0/s1
PDB

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US Patent
n/an/a 95n/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))
BDBM185373
PNG
(US9156845, 15)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C18H20N4/c1-13-6-5-9-22(11-13)18-16-15(14-7-3-2-4-8-14)10-19-17(16)20-12-21-18/h2-4,7-8,10,12-13H,5-6,9,11H2,1H3,(H,19,20,21)/t13-/m0/s1
PDB

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US Patent
n/an/a 92n/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))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
PDB

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US Patent
n/an/a 45n/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))
BDBM185375
PNG
(US9156845, 18)
Show SMILES C1CCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C16H16N4/c1-2-6-12(7-3-1)13-10-17-15-14(13)16(19-11-18-15)20-8-4-5-9-20/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18,19)
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n/an/a 47n/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))
BDBM185397
PNG
(US9156845, 41)
Show SMILES CC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)
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n/an/a 172n/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))
BDBM50059350
PNG
(CHEMBL3393344 | US9156845, 70)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C17H15N5/c18-9-12-4-3-5-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-6-1-2-7-22/h3-5,8,10-11H,1-2,6-7H2,(H,19,20,21)
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n/an/a 64n/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))
BDBM185426
PNG
(US9156845, 71 | US9156845, 77)
Show SMILES CC1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5/c1-12-5-6-23(10-12)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)
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n/an/a 102n/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))
BDBM185426
PNG
(US9156845, 71 | US9156845, 77)
Show SMILES CC1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5/c1-12-5-6-23(10-12)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)
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n/an/a 158n/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))
BDBM185480
PNG
(US9156845, 133)
Show SMILES OCC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H18FN5O/c20-19(11-26)4-6-25(7-5-19)18-16-15(10-22-17(16)23-12-24-18)14-3-1-2-13(8-14)9-21/h1-3,8,10,12,26H,4-7,11H2,(H,22,23,24)
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n/an/a 106n/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))
BDBM185485
PNG
(US9156845, 138)
Show SMILES OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c19-8-12-3-1-4-13(7-12)15-9-20-17-16(15)18(22-11-21-17)23-6-2-5-14(24)10-23/h1,3-4,7,9,11,14,24H,2,5-6,10H2,(H,20,21,22)
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n/an/a 27n/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))
BDBM185501
PNG
(US9156845, 155)
Show SMILES O[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H17N5O/c19-8-12-3-1-4-13(7-12)15-9-20-17-16(15)18(22-11-21-17)23-6-2-5-14(24)10-23/h1,3-4,7,9,11,14,24H,2,5-6,10H2,(H,20,21,22)/t14-/m1/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))
BDBM185502
PNG
(US9156845, 156)
Show SMILES OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12
Show InChI InChI=1S/C17H17FN4O/c18-12-4-1-3-11(7-12)14-8-19-16-15(14)17(21-10-20-16)22-6-2-5-13(23)9-22/h1,3-4,7-8,10,13,23H,2,5-6,9H2,(H,19,20,21)
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n/an/a 86n/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))
BDBM185508
PNG
(US9156845, 162)
Show SMILES Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
Show InChI InChI=1S/C17H19N5O/c1-11-5-12(7-18-6-11)14-8-19-16-15(14)17(21-10-20-16)22-4-2-3-13(23)9-22/h5-8,10,13,23H,2-4,9H2,1H3,(H,19,20,21)
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n/an/a 67n/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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 575n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


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))
BDBM50059350
PNG
(CHEMBL3393344 | US9156845, 70)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C17H15N5/c18-9-12-4-3-5-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-6-1-2-7-22/h3-5,8,10-11H,1-2,6-7H2,(H,19,20,21)
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n/an/a 432n/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))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
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n/an/a 182n/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))
BDBM50059368
PNG
(CHEMBL3393342)
Show SMILES C[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m1/s1
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n/an/a 1.58E+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))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 210n/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))
BDBM50059350
PNG
(CHEMBL3393344 | US9156845, 70)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C17H15N5/c18-9-12-4-3-5-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-6-1-2-7-22/h3-5,8,10-11H,1-2,6-7H2,(H,19,20,21)
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n/an/a 64n/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))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
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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 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))
BDBM50059368
PNG
(CHEMBL3393342)
Show SMILES C[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m1/s1
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n/an/a 171n/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))
BDBM50059259
PNG
(CHEMBL3393341 | US9156845, 16)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 49n/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))
BDBM50059350
PNG
(CHEMBL3393344 | US9156845, 70)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C17H15N5/c18-9-12-4-3-5-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-6-1-2-7-22/h3-5,8,10-11H,1-2,6-7H2,(H,19,20,21)
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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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))
BDBM50059368
PNG
(CHEMBL3393342)
Show SMILES C[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/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))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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UniChem

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US Patent
n/an/a 6n/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