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13 similar compounds to monomer 185412

Compile data set for download or QSAR
Wt: 317.3
BDBM50059259
Wt: 317.3
BDBM50059368
Wt: 331.4
BDBM185370
Wt: 321.3
BDBM185371
Wt: 292.3
BDBM185373
Wt: 264.3
BDBM185375
Wt: 308.3
BDBM185376
Wt: 317.3
BDBM185397
Wt: 293.3
BDBM185407
Wt: 307.3
BDBM185408
Wt: 335.4
BDBM185413
Wt: 308.3
BDBM185414
Wt: 322.4
BDBM185571

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50059259,50059368,185370,185371,185373,185375,185376,185397,185407,185408,185413,185414,185571   
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))
BDBM185571
PNG
(US9156845, 7)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C19H22N4O/c1-13-4-3-7-23(10-13)19-17-16(9-20-18(17)21-12-22-19)15-6-2-5-14(8-15)11-24/h2,5-6,8-9,12-13,24H,3-4,7,10-11H2,1H3,(H,20,21,22)/t13-/m0/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))
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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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))
BDBM185371
PNG
(US9156845, 13)
Show SMILES NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C18H19N5O/c19-16(24)13-7-4-8-23(10-13)18-15-14(12-5-2-1-3-6-12)9-20-17(15)21-11-22-18/h1-3,5-6,9,11,13H,4,7-8,10H2,(H2,19,24)(H,20,21,22)
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n/an/a 41n/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
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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))
BDBM185376
PNG
(US9156845, 19)
Show SMILES OCC1CCN(CC1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C18H20N4O/c23-11-13-6-8-22(9-7-13)18-16-15(14-4-2-1-3-5-14)10-19-17(16)20-12-21-18/h1-5,10,12-13,23H,6-9,11H2,(H,19,20,21)
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n/an/a 38n/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))
BDBM185407
PNG
(US9156845, 51)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccnc3)c12
Show InChI InChI=1S/C17H19N5/c1-12-4-3-7-22(10-12)17-15-14(13-5-2-6-18-8-13)9-19-16(15)20-11-21-17/h2,5-6,8-9,11-12H,3-4,7,10H2,1H3,(H,19,20,21)/t12-/m0/s1
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n/an/a 56n/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))
BDBM185408
PNG
(US9156845, 52)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12
Show InChI InChI=1S/C18H21N5/c1-12-4-3-5-23(10-12)18-16-15(9-20-17(16)21-11-22-18)14-6-13(2)7-19-8-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 15n/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))
BDBM185413
PNG
(US9156845, 57)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(cc3)C(N)=O)c12
Show InChI InChI=1S/C19H21N5O/c1-12-3-2-8-24(10-12)19-16-15(9-21-18(16)22-11-23-19)13-4-6-14(7-5-13)17(20)25/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,20,25)(H,21,22,23)/t12-/m0/s1
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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 (LRRK2)


(Homo sapiens (Human))
BDBM185414
PNG
(US9156845, 58)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C18H20N4O/c1-12-4-3-7-22(10-12)18-16-15(9-19-17(16)20-11-21-18)13-5-2-6-14(23)8-13/h2,5-6,8-9,11-12,23H,3-4,7,10H2,1H3,(H,19,20,21)/t12-/m0/s1
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n/an/a 9n/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))
BDBM185571
PNG
(US9156845, 7)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C19H22N4O/c1-13-4-3-7-23(10-13)19-17-16(9-20-18(17)21-12-22-19)15-6-2-5-14(8-15)11-24/h2,5-6,8-9,12-13,24H,3-4,7,10-11H2,1H3,(H,20,21,22)/t13-/m0/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 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)
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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))
BDBM185371
PNG
(US9156845, 13)
Show SMILES NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C18H19N5O/c19-16(24)13-7-4-8-23(10-13)18-15-14(12-5-2-1-3-6-12)9-20-17(15)21-11-22-18/h1-3,5-6,9,11,13H,4,7-8,10H2,(H2,19,24)(H,20,21,22)
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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 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
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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
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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))
BDBM185376
PNG
(US9156845, 19)
Show SMILES OCC1CCN(CC1)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C18H20N4O/c23-11-13-6-8-22(9-7-13)18-16-15(14-4-2-1-3-5-14)10-19-17(16)20-12-21-18/h1-5,10,12-13,23H,6-9,11H2,(H,19,20,21)
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n/an/a 29n/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))
BDBM185407
PNG
(US9156845, 51)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccnc3)c12
Show InChI InChI=1S/C17H19N5/c1-12-4-3-7-22(10-12)17-15-14(13-5-2-6-18-8-13)9-19-16(15)20-11-21-17/h2,5-6,8-9,11-12H,3-4,7,10H2,1H3,(H,19,20,21)/t12-/m0/s1
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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))
BDBM185408
PNG
(US9156845, 52)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12
Show InChI InChI=1S/C18H21N5/c1-12-4-3-5-23(10-12)18-16-15(9-20-17(16)21-11-22-18)14-6-13(2)7-19-8-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 19n/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))
BDBM185413
PNG
(US9156845, 57)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(cc3)C(N)=O)c12
Show InChI InChI=1S/C19H21N5O/c1-12-3-2-8-24(10-12)19-16-15(9-21-18(16)22-11-23-19)13-4-6-14(7-5-13)17(20)25/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,20,25)(H,21,22,23)/t12-/m0/s1
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n/an/a 9n/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))
BDBM185414
PNG
(US9156845, 58)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C18H20N4O/c1-12-4-3-7-22(10-12)18-16-15(9-19-17(16)20-11-21-18)13-5-2-6-14(23)8-13/h2,5-6,8-9,11-12,23H,3-4,7,10H2,1H3,(H,19,20,21)/t12-/m0/s1
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n/an/a 12n/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))
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))
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))
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 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))
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)
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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