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Compile Data Set for Download or QSAR

Found 792 hits of affinity data for UniProtKB/TrEMBL: Q5S007    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2152707
PNG
Show SMILES Cn1cc(C=Cc2[nH]nc3ccnc(OC4CCCCC4)c23)cn1
Show InChI InChI=1S/C18H21N5O/c1-23-12-13(11-20-23)7-8-15-17-16(22-21-15)9-10-19-18(17)24-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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UniChem
ZINC 0
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0.3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to LRRK2


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 282
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N6O2/c1-24-17-14(20(21,22)23)11-25-19(28-17)27-15-5-4-12(10-16(15)31-3)18(30)26-13-6-8-29(2)9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,26,30)(H2,24,25,27,28)
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US Patent
0.6n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 306
PNG
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC[C@H]2COC)ncc1C(F)(F)F
Show InChI InChI=1S/C21H25F4N5O3/c1-4-26-18-14(21(23,24)25)10-27-20(29-18)28-16-9-15(22)13(8-17(16)33-3)19(31)30-7-5-6-12(30)11-32-2/h8-10,12H,4-7,11H2,1-3H3,(H2,26,27,28,29)/t12-/m0/s1
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0.6n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122119
PNG
Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-9(15(16,17)18)7-21-13(23-12)22-11-6-10(24-25(11)4)14(2,3)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23)
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0.7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122113
PNG
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
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0.7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 276
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O2/c1-25-18-15(21(22,23)24)12-26-20(28-18)27-16-6-5-13(11-17(16)32-4)19(31)30-9-7-14(8-10-30)29(2)3/h5-6,11-12,14H,7-10H2,1-4H3,(H2,25,26,27,28)
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US Patent
0.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122105
PNG
Show SMILES CNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O/c1-13(2)7-23-10(6-24-13)9(5-20-23)21-12-19-4-8(14(15,16)17)11(18-3)22-12/h4-5H,6-7H2,1-3H3,(H2,18,19,21,22)
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0.9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 9
PNG
Show SMILES CNc1nc(Nc2cc3CN(C)C(=O)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C15H13ClF3N5O/c1-20-12-9(15(17,18)19)5-21-14(23-12)22-11-3-7-6-24(2)13(25)8(7)4-10(11)16/h3-5H,6H2,1-2H3,(H2,20,21,22,23)
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US Patent
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 3
PNG
Show SMILES CNc1nc(Nc2cc3oc(cc3cc2OC)C(=O)N(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O3/c1-22-15-10(18(19,20)21)8-23-17(25-15)24-11-7-12-9(5-13(11)28-4)6-14(29-12)16(27)26(2)3/h5-8H,1-4H3,(H2,22,23,24,25)
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US Patent
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
US8802674, 50
PNG
(CHEMBL2171745)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O3/c1-22-15-12(18(19,20)21)10-23-17(25-15)24-13-4-3-11(9-14(13)28-2)16(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H2,22,23,24,25)
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1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2171743
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
Show InChI InChI=1S/C17H20BrN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
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1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178140
PNG
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCC(C)(C)O)ncc1C(F)(F)F
Show InChI InChI=1S/C19H23F4N5O3/c1-5-24-15-11(19(21,22)23)8-25-17(28-15)27-13-7-12(20)10(6-14(13)31-4)16(29)26-9-18(2,3)30/h6-8,30H,5,9H2,1-4H3,(H,26,29)(H2,24,25,27,28)
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1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178135
PNG
Show SMILES COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N5O3/c1-31-16-8-12(18(30)29-4-6-32-7-5-29)14(21)9-15(16)27-19-25-10-13(20(22,23)24)17(28-19)26-11-2-3-11/h8-11H,2-7H2,1H3,(H2,25,26,27,28)
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1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
US8802674, 256
PNG
(CHEMBL2178134)
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
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1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178125
PNG
Show SMILES CNc1nc(Nc2cc(OC)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O4/c1-23-16-12(19(20,21)22)10-24-18(26-16)25-13-9-14(29-2)11(8-15(13)30-3)17(28)27-4-6-31-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26)
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1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122114
PNG
Show SMILES CNc1nc(Nc2cnn(c2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-21-24(8)13(2,3)7-18)22-12-20-5-9(14(15,16)17)11(19-4)23-12/h5-6H,1-4H3,(H2,19,20,22,23)
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1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 45
PNG
Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H17F3N8O/c1-8-5-11(13(28-4)6-12(8)27-9(2)24-25-26-27)22-15-21-7-10(16(17,18)19)14(20-3)23-15/h5-7H,1-4H3,(H2,20,21,22,23)
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US Patent
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 32
PNG
Show SMILES CCN1CCN(CC1)C(=O)c1cn(C)c2cc(Nc3ncc(c(NC)n3)C(F)(F)F)c(Cl)cc12
Show InChI InChI=1S/C22H25ClF3N7O/c1-4-32-5-7-33(8-6-32)20(34)14-12-31(3)18-10-17(16(23)9-13(14)18)29-21-28-11-15(22(24,25)26)19(27-2)30-21/h9-12H,4-8H2,1-3H3,(H2,27,28,29,30)
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US Patent
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 31
PNG
Show SMILES CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCN(C)CC4)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C21H23ClF3N7O/c1-26-18-14(21(23,24)25)10-27-20(29-18)28-16-9-17-12(8-15(16)22)13(11-31(17)3)19(33)32-6-4-30(2)5-7-32/h8-11H,4-7H2,1-3H3,(H2,26,27,28,29)
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1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 25
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2ccnn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-21-15-11(17(18,19)20)9-22-16(25-15)24-12-5-4-10(8-14(12)27-3)13-6-7-23-26(13)2/h4-9H,1-3H3,(H2,21,22,24,25)
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1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 26
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2c(C)noc2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O2/c1-9-15(10(2)28-26-9)11-5-6-13(14(7-11)27-4)24-17-23-8-12(18(19,20)21)16(22-3)25-17/h5-8H,1-4H3,(H2,22,23,24,25)
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US Patent
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 41
PNG
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)-c2cnn(C)c2C(=O)N(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C20H21F4N7O2/c1-25-17-12(20(22,23)24)9-26-19(29-17)28-14-7-13(21)10(6-15(14)33-5)11-8-27-31(4)16(11)18(32)30(2)3/h6-9H,1-5H3,(H2,25,26,28,29)
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1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 30
PNG
Show SMILES CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2OC)ncc1C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O3/c1-25-18-14(21(22,23)24)10-26-20(28-18)27-15-9-16-12(8-17(15)32-3)13(11-29(16)2)19(31)30-4-6-33-7-5-30/h8-11H,4-7H2,1-3H3,(H2,25,26,27,28)
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Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 46
PNG
Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2COC)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N8O2/c1-9-5-11(23-16-22-7-10(17(18,19)20)15(21-2)24-16)13(30-4)6-12(9)28-14(8-29-3)25-26-27-28/h5-7H,8H2,1-4H3,(H2,21,22,23,24)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 29
PNG
Show SMILES CCNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C21H22ClF3N6O2/c1-3-26-18-14(21(23,24)25)10-27-20(29-18)28-16-9-17-12(8-15(16)22)13(11-30(17)2)19(32)31-4-6-33-7-5-31/h8-11H,3-7H2,1-2H3,(H2,26,27,28,29)
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Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 11
PNG
Show SMILES CNc1nc(Nc2ccc3C(=O)N(C)Cc3c2OC)ncc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N5O2/c1-20-13-10(16(17,18)19)6-21-15(23-13)22-11-5-4-8-9(12(11)26-3)7-24(2)14(8)25/h4-6H,7H2,1-3H3,(H2,20,21,22,23)
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Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 2
PNG
Show SMILES CNc1nc(Nc2cc3OC(C)(C)C(=O)N(C)c3cc2OC)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-17(2)15(24)23(4)11-7-12(25-5)10(6-13(11)26-17)21-16-20-8-9(18)14(19-3)22-16/h6-8H,1-5H3,(H2,19,20,21,22)
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Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 283
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCC(F)(F)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C20H22F5N5O2/c1-26-16-13(20(23,24)25)10-27-18(30-16)29-14-4-3-11(9-15(14)32-2)17(31)28-12-5-7-19(21,22)8-6-12/h3-4,9-10,12H,5-8H2,1-2H3,(H,28,31)(H2,26,27,29,30)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 238
PNG
Show SMILES CCNc1nc(Nc2cc(OC)c(cc2F)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-15(30-2)11(8-13(14)20)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 307
PNG
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(CC)CCOC)ncc1C(F)(F)F
Show InChI InChI=1S/C20H25F4N5O3/c1-5-25-17-13(20(22,23)24)11-26-19(28-17)27-15-10-14(21)12(9-16(15)32-4)18(30)29(6-2)7-8-31-3/h9-11H,5-8H2,1-4H3,(H2,25,26,27,28)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 173
PNG
Show SMILES CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C20H24ClF3N6O2/c1-25-17-13(20(22,23)24)10-26-19(29-17)28-15-9-16(32-3)12(8-14(15)21)18(31)27-11-4-6-30(2)7-5-11/h8-11H,4-7H2,1-3H3,(H,27,31)(H2,25,26,28,29)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 81
PNG
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NC2CCC2)n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H24ClN5O3/c1-28-17-11-13(19(27)26-7-9-29-10-8-26)5-6-16(17)24-20-22-12-15(21)18(25-20)23-14-3-2-4-14/h5-6,11-12,14H,2-4,7-10H2,1H3,(H2,22,23,24,25)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 270
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(F)(F)C2)ncc1C(F)(F)F
Show InChI InChI=1S/C17H16F5N5O2/c1-23-13-10(17(20,21)22)6-24-15(26-13)25-11-4-3-9(5-12(11)29-2)14(28)27-7-16(18,19)8-27/h3-6H,7-8H2,1-2H3,(H2,23,24,25,26)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 280
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)OC)ncc1C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O3/c1-24-17-14(20(21,22)23)11-25-19(27-17)26-15-5-4-12(10-16(15)31-3)18(29)28-8-6-13(30-2)7-9-28/h4-5,10-11,13H,6-9H2,1-3H3,(H2,24,25,26,27)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 304
PNG
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
Show InChI InChI=1S/C19H23F4N5O3/c1-5-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)31-4)17(29)28(2)6-7-30-3/h8-10H,5-7H2,1-4H3,(H2,24,25,26,27)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 278
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O2/c1-25-17-14(20(21,22)23)11-26-19(28-17)27-15-4-3-13(9-16(15)31-2)18(30)29-7-5-12(10-24)6-8-29/h3-4,9,11-12H,5-8H2,1-2H3,(H2,25,26,27,28)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 272
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CCC(C2)O3)ncc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3/c1-24-17-14(20(21,22)23)8-25-19(27-17)26-15-6-3-11(7-16(15)30-2)18(29)28-9-12-4-5-13(10-28)31-12/h3,6-8,12-13H,4-5,9-10H2,1-2H3,(H2,24,25,26,27)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 178
PNG
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC(C2)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C19H18F4N6O2/c1-25-16-12(19(21,22)23)8-26-18(28-16)27-14-6-13(20)11(5-15(14)31-2)17(30)29-4-3-10(7-24)9-29/h5-6,8,10H,3-4,9H2,1-2H3,(H2,25,26,27,28)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 104
PNG
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCC2CC2)n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H26ClN5O3/c1-29-18-12-15(20(28)27-8-10-30-11-9-27)4-5-17(18)25-21-24-13-16(22)19(26-21)23-7-6-14-2-3-14/h4-5,12-14H,2-3,6-11H2,1H3,(H2,23,24,25,26)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 241
PNG
Show SMILES CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-13-5-4-11(14(20)15(13)30-2)17(29)28-6-8-31-9-7-28/h4-5,10H,3,6-9H2,1-2H3,(H2,24,25,26,27)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
US8802674, 292
PNG
(CHEMBL2178124)
Show SMILES CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-13-8-12(19)10(7-14(13)29-2)16(28)27-3-5-30-6-4-27/h7-9H,3-6H2,1-2H3,(H2,23,24,25,26)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 257
PNG
Show SMILES CCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O3/c1-3-23-16-13(19(20,21)22)11-24-18(26-16)25-14-5-4-12(10-15(14)29-2)17(28)27-6-8-30-9-7-27/h4-5,10-11H,3,6-9H2,1-2H3,(H2,23,24,25,26)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 217
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC2CC2)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C19H22ClN5O3/c1-21-17-14(20)11-22-19(24-17)23-15-5-2-12(10-16(15)28-13-3-4-13)18(26)25-6-8-27-9-7-25/h2,5,10-11,13H,3-4,6-9H2,1H3,(H2,21,22,23,24)
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US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 4
PNG
Show SMILES CNc1nc(Nc2cc3n(C)c(=O)n(C)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N6O/c1-20-12-7(15(17,18)19)6-21-13(23-12)22-9-5-11-10(4-8(9)16)24(2)14(26)25(11)3/h4-6H,1-3H3,(H2,20,21,22,23)
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Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 5
PNG
(US8796296, 14)
Show SMILES CNc1nc(Nc2cc3oc(=O)n(C)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C14H11ClF3N5O2/c1-19-11-6(14(16,17)18)5-20-12(22-11)21-8-4-10-9(3-7(8)15)23(2)13(24)25-10/h3-5H,1-2H3,(H2,19,20,21,22)
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Genentech, Inc.

US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8796296, 26
PNG
Show SMILES CCNc1nc(Nc2cc3CN(C4COC4)C(=O)c3cc2OC)ncc1C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O3/c1-3-23-16-13(19(20,21)22)6-24-18(26-16)25-14-4-10-7-27(11-8-30-9-11)17(28)12(10)5-15(14)29-2/h4-6,11H,3,7-9H2,1-2H3,(H2,23,24,25,26)
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US Patent


Assay Description
his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. I...


US Patent US8796296 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178130
PNG
Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O3/c1-11-8-14(25-18-24-10-13(19(20,21)22)16(23-2)26-18)15(29-3)9-12(11)17(28)27-4-6-30-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178137
PNG
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C14H14F4N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8802674, 63
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CCC(C2)O3)ncc1Cl
Show InChI InChI=1S/C19H22ClN5O3/c1-21-17-14(20)8-22-19(24-17)23-15-6-3-11(7-16(15)27-2)18(26)25-9-12-4-5-13(10-25)28-12/h3,6-8,12-13H,4-5,9-10H2,1-2H3,(H2,21,22,23,24)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8802674 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
US8802674, 50
PNG
(CHEMBL2171745)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O3/c1-22-15-12(18(19,20)21)10-23-17(25-15)24-13-4-3-11(9-14(13)28-2)16(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H2,22,23,24,25)
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Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
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