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9 similar compounds to monomer 185450

Compile data set for download or QSAR
Wt: 310.3
BDBM50059346
Wt: 324.3
BDBM185511
Wt: 268.3
BDBM185519
Wt: 294.3
BDBM185522
Wt: 342.3
BDBM185525
Wt: 328.3
BDBM185536
Wt: 328.3
BDBM185444
Wt: 335.3
BDBM185462
Wt: 344.7
BDBM185463

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50059346,185511,185519,185522,185525,185536,185444,185462,185463   
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))
BDBM185444
PNG
(US9156845, 94)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
PDB

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UniProtKB/SwissProt

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UniChem

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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
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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Article
PubMed
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))
BDBM185462
PNG
(US9156845, 115)
Show SMILES COc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
Show InChI InChI=1S/C18H17N5O2/c1-19-12-3-4-15(24-2)13(9-12)14-10-20-17-16(14)18(22-11-21-17)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,2H3,(H,20,21,22)
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n/an/a 48n/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))
BDBM185463
PNG
(US9156845, 116)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17ClN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
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n/an/a 85n/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))
BDBM185511
PNG
(US9156845, 165)
Show SMILES COc1ccccc1-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
Show InChI InChI=1S/C18H20N4O2/c1-24-15-7-3-2-6-13(15)14-9-19-17-16(14)18(21-11-20-17)22-8-4-5-12(23)10-22/h2-3,6-7,9,11-12,23H,4-5,8,10H2,1H3,(H,19,20,21)
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n/an/a 58n/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))
BDBM185519
PNG
(US9156845, 173)
Show SMILES COc1ccccc1-c1c[nH]c2ncnc(N(C)C)c12
Show InChI InChI=1S/C15H16N4O/c1-19(2)15-13-11(8-16-14(13)17-9-18-15)10-6-4-5-7-12(10)20-3/h4-9H,1-3H3,(H,16,17,18)
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n/an/a 43n/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))
BDBM185522
PNG
(US9156845, 176)
Show SMILES COc1ccccc1-c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C17H18N4O/c1-22-14-7-3-2-6-12(14)13-10-18-16-15(13)17(20-11-19-16)21-8-4-5-9-21/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,19,20)
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n/an/a 54n/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))
BDBM185525
PNG
(US9156845, 179)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCO[C@@H](C)C3)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)/t11-/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 (LRRK2)


(Homo sapiens (Human))
BDBM185536
PNG
(US9156845, 190)
Show SMILES COc1cccc(F)c1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-13-4-2-3-12(18)14(13)11-9-19-16-15(11)17(21-10-20-16)22-5-7-24-8-6-22/h2-4,9-10H,5-8H2,1H3,(H,19,20,21)
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n/an/a 25n/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))
BDBM185444
PNG
(US9156845, 94)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
PDB

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US Patent
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 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)
PDB

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PC sid
UniChem

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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))
BDBM185462
PNG
(US9156845, 115)
Show SMILES COc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
Show InChI InChI=1S/C18H17N5O2/c1-19-12-3-4-15(24-2)13(9-12)14-10-20-17-16(14)18(22-11-21-17)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,2H3,(H,20,21,22)
PDB

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US Patent
n/an/a 121n/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))
BDBM185463
PNG
(US9156845, 116)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17ClN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
PDB

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US Patent
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
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185511
PNG
(US9156845, 165)
Show SMILES COc1ccccc1-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
Show InChI InChI=1S/C18H20N4O2/c1-24-15-7-3-2-6-13(15)14-9-19-17-16(14)18(21-11-20-17)22-8-4-5-12(23)10-22/h2-3,6-7,9,11-12,23H,4-5,8,10H2,1H3,(H,19,20,21)
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US Patent
n/an/a 62n/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))
BDBM185519
PNG
(US9156845, 173)
Show SMILES COc1ccccc1-c1c[nH]c2ncnc(N(C)C)c12
Show InChI InChI=1S/C15H16N4O/c1-19(2)15-13-11(8-16-14(13)17-9-18-15)10-6-4-5-7-12(10)20-3/h4-9H,1-3H3,(H,16,17,18)
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US Patent
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))
BDBM185522
PNG
(US9156845, 176)
Show SMILES COc1ccccc1-c1c[nH]c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C17H18N4O/c1-22-14-7-3-2-6-12(14)13-10-18-16-15(13)17(20-11-19-16)21-8-4-5-9-21/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,19,20)
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US Patent
n/an/a 68n/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))
BDBM185525
PNG
(US9156845, 179)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCO[C@@H](C)C3)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)/t11-/m0/s1
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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
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185536
PNG
(US9156845, 190)
Show SMILES COc1cccc(F)c1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-13-4-2-3-12(18)14(13)11-9-19-16-15(11)17(21-10-20-16)22-5-7-24-8-6-22/h2-4,9-10H,5-8H2,1H3,(H,19,20,21)
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US Patent
n/an/a 34n/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 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))
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))
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