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Compile Data Set for Download or QSAR

Found 421 hits with Last Name = 'mciver' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
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 (Human))
BDBM41571
PNG
(US8569281, 52)
Show SMILES Cn1cc(\C=C\c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1
Show InChI InChI=1S/C15H21N5O3S/c1-10-8-11(19-23-10)14(21)16-5-4-13-18-12(9-24-13)15(22)17-6-7-20(2)3/h8-9H,4-7H2,1-3H3,(H,16,21)(H,17,22)
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0.300n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50507669
PNG
(CHEMBL4539170)
Show SMILES CCc1cc(nn1C)-c1n[nH]c2ccnc(NC3CCOCC3)c12
Show InChI InChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...


Bioorg Med Chem Lett 29: 674-680 (2019)


Article DOI: 10.1016/j.bmcl.2018.10.017
BindingDB Entry DOI: 10.7270/Q2HH6PCX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50507673
PNG
(CHEMBL4441650)
Show SMILES CC(C)n1cc(nn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
Show InChI InChI=1S/C16H21N7O/c1-10(2)23-9-13(20-22-23)15-14-12(19-21-15)3-6-17-16(14)18-11-4-7-24-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,18)(H,19,21)
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...


Bioorg Med Chem Lett 29: 674-680 (2019)


Article DOI: 10.1016/j.bmcl.2018.10.017
BindingDB Entry DOI: 10.7270/Q2HH6PCX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105075
PNG
(CHEMBL2152708 | US8569281, 59)
Show SMILES CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12
Show InChI InChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24)
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US Patent
2.40n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105125
PNG
(US8569281, 147)
Show SMILES C1C[C@@H](CO1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12 |r|
Show InChI InChI=1S/C18H21N5O3/c1-5-19-18(26-14-3-7-24-8-4-14)16-15(1)21-22-17(16)12-9-20-23(10-12)13-2-6-25-11-13/h1,5,9-10,13-14H,2-4,6-8,11H2,(H,21,22)/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105100
PNG
(US8569281, 110)
Show SMILES C1CCN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C20H23N5O2/c1-2-10-25(9-1)17-13-14(3-7-21-17)19-18-16(23-24-19)4-8-22-20(18)27-15-5-11-26-12-6-15/h3-4,7-8,13,15H,1-2,5-6,9-12H2,(H,23,24)
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3n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105080
PNG
(US8569281, 70)
Show SMILES CC(C)n1cc(cc1C(=O)NC1COC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C22H27N5O4/c1-13(2)27-10-14(9-18(27)21(28)24-15-11-30-12-15)20-19-17(25-26-20)3-6-23-22(19)31-16-4-7-29-8-5-16/h3,6,9-10,13,15-16H,4-5,7-8,11-12H2,1-2H3,(H,24,28)(H,25,26)
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3n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50507671
PNG
(CHEMBL4435096)
Show SMILES C1CC(CCO1)Nc1nccc2[nH]nc(-c3ccccn3)c12
Show InChI InChI=1S/C16H17N5O/c1-2-7-17-13(3-1)15-14-12(20-21-15)4-8-18-16(14)19-11-5-9-22-10-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,19)(H,20,21)
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3.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...


Bioorg Med Chem Lett 29: 674-680 (2019)


Article DOI: 10.1016/j.bmcl.2018.10.017
BindingDB Entry DOI: 10.7270/Q2HH6PCX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50507678
PNG
(CHEMBL4560272)
Show SMILES CCc1cc(nn1C)-c1n[nH]c2ccnc(NC(C)C)c12
Show InChI InChI=1S/C15H20N6/c1-5-10-8-12(20-21(10)4)14-13-11(18-19-14)6-7-16-15(13)17-9(2)3/h6-9H,5H2,1-4H3,(H,16,17)(H,18,19)
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3.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...


Bioorg Med Chem Lett 29: 674-680 (2019)


Article DOI: 10.1016/j.bmcl.2018.10.017
BindingDB Entry DOI: 10.7270/Q2HH6PCX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50507670
PNG
(CHEMBL4527314)
Show SMILES FC(F)(F)c1cc(ncn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
Show InChI InChI=1S/C16H15F3N6O/c17-16(18,19)12-7-11(21-8-22-12)14-13-10(24-25-14)1-4-20-15(13)23-9-2-5-26-6-3-9/h1,4,7-9H,2-3,5-6H2,(H,20,23)(H,24,25)
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4.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...


Bioorg Med Chem Lett 29: 674-680 (2019)


Article DOI: 10.1016/j.bmcl.2018.10.017
BindingDB Entry DOI: 10.7270/Q2HH6PCX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50507672
PNG
(CHEMBL4460272)
Show SMILES C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
Show InChI InChI=1S/C20H23N5O3/c1-5-21-17(25-7-11-27-12-8-25)13-14(1)19-18-16(23-24-19)2-6-22-20(18)28-15-3-9-26-10-4-15/h1-2,5-6,13,15H,3-4,7-12H2,(H,23,24)
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4.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...


Bioorg Med Chem Lett 29: 674-680 (2019)


Article DOI: 10.1016/j.bmcl.2018.10.017
BindingDB Entry DOI: 10.7270/Q2HH6PCX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105124
PNG
(US8569281, 146)
Show SMILES C1C[C@H](CO1)n1cc(cn1)-c1c[nH]c2ccnc(OC3CCOCC3)c12 |r|
Show InChI InChI=1S/C19H22N4O3/c1-5-20-19(26-15-3-7-24-8-4-15)18-16(10-21-17(1)18)13-9-22-23(11-13)14-2-6-25-12-14/h1,5,9-11,14-15,21H,2-4,6-8,12H2/t14-/m1/s1
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US Patent
5n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105092
PNG
(US8569281, 98)
Show SMILES C1CC(CO1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C18H21N5O3/c1-5-19-18(26-14-3-7-24-8-4-14)16-15(1)21-22-17(16)12-9-20-23(10-12)13-2-6-25-11-13/h1,5,9-10,13-14H,2-4,6-8,11H2,(H,21,22)
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US Patent
5n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105093
PNG
(US8569281, 100)
Show SMILES Cc1cc(cc(C)n1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C18H20N4O2/c1-11-9-13(10-12(2)20-11)17-16-15(21-22-17)3-6-19-18(16)24-14-4-7-23-8-5-14/h3,6,9-10,14H,4-5,7-8H2,1-2H3,(H,21,22)
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5n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105115
PNG
(US8569281, 132)
Show SMILES Clc1ccccc1C#Cc1[nH]nc2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C19H16ClN3O2/c20-15-4-2-1-3-13(15)5-6-16-18-17(23-22-16)7-10-21-19(18)25-14-8-11-24-12-9-14/h1-4,7,10,14H,8-9,11-12H2,(H,22,23)
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5n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105071
PNG
(US8569281, 39)
Show SMILES C1CCC(C1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C19H23N5O2/c1-2-4-14(3-1)24-12-13(11-21-24)18-17-16(22-23-18)5-8-20-19(17)26-15-6-9-25-10-7-15/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,22,23)
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US Patent
6n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105065
PNG
(US8569281, 14)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C21H26N6O2/c1-26-8-10-27(11-9-26)18-14-15(2-6-22-18)20-19-17(24-25-20)3-7-23-21(19)29-16-4-12-28-13-5-16/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,24,25)
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6n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105176
PNG
(US8569281, 216)
Show SMILES CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(c3)C(C)C)c12
Show InChI InChI=1S/C21H27N5O2/c1-13(2)26-12-15(11-17(26)21(27)25-9-5-6-10-25)19-18-16(23-24-19)7-8-22-20(18)28-14(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,23,24)
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6n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105101
PNG
(US8569281, 111)
Show SMILES CC1CCCN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C22H27N5O2/c1-15-3-2-10-27(14-15)19-13-16(4-8-23-19)21-20-18(25-26-21)5-9-24-22(20)29-17-6-11-28-12-7-17/h4-5,8-9,13,15,17H,2-3,6-7,10-12,14H2,1H3,(H,25,26)
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US Patent
6n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105091
PNG
(US8569281, 96)
Show SMILES FC(F)(F)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C16H16F3N5O2/c17-16(18,19)9-24-8-10(7-21-24)14-13-12(22-23-14)1-4-20-15(13)26-11-2-5-25-6-3-11/h1,4,7-8,11H,2-3,5-6,9H2,(H,22,23)
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6n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105143
PNG
(US8569281, 168)
Show SMILES CC(C)c1nc(n[nH]1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
Show InChI InChI=1S/C16H21N7O/c1-9(2)14-19-16(23-22-14)13-12-11(20-21-13)3-6-17-15(12)18-10-4-7-24-8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,17,18)(H,20,21)(H,19,22,23)
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7n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105148
PNG
(US8569281, 175)
Show SMILES Cn1cccc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)c1=O
Show InChI InChI=1S/C17H19N5O3/c1-22-8-2-3-13(17(22)23)19-15-14-12(20-21-15)4-7-18-16(14)25-11-5-9-24-10-6-11/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,19,20,21)
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7n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105180
PNG
(US8569281, 224)
Show SMILES CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOC3)c12
Show InChI InChI=1S/C16H19N5O2/c1-10(2)21-8-11(7-18-21)15-14-13(19-20-15)3-5-17-16(14)23-12-4-6-22-9-12/h3,5,7-8,10,12H,4,6,9H2,1-2H3,(H,19,20)
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7n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105143
PNG
(US8569281, 168)
Show SMILES CC(C)c1nc(n[nH]1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
Show InChI InChI=1S/C16H21N7O/c1-9(2)14-19-16(23-22-14)13-12-11(20-21-13)3-6-17-15(12)18-10-4-7-24-8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,17,18)(H,20,21)(H,19,22,23)
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7.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...


Bioorg Med Chem Lett 29: 674-680 (2019)


Article DOI: 10.1016/j.bmcl.2018.10.017
BindingDB Entry DOI: 10.7270/Q2HH6PCX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105177
PNG
(US8569281, 218)
Show SMILES CC(C)n1cc(cc1C(=O)N1CCC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C22H27N5O3/c1-14(2)27-13-15(12-18(27)22(28)26-8-3-9-26)20-19-17(24-25-20)4-7-23-21(19)30-16-5-10-29-11-6-16/h4,7,12-14,16H,3,5-6,8-11H2,1-2H3,(H,24,25)
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8n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105103
PNG
(US8569281, 114)
Show SMILES C1CN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C19H21N5O2/c1-8-24(9-1)16-12-13(2-6-20-16)18-17-15(22-23-18)3-7-21-19(17)26-14-4-10-25-11-5-14/h2-3,6-7,12,14H,1,4-5,8-11H2,(H,22,23)
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9n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105174
PNG
(US8569281, 212)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C25H25N5O3/c1-30(2)25(31)17-5-3-16(4-6-17)21-15-18(7-11-26-21)23-22-20(28-29-23)8-12-27-24(22)33-19-9-13-32-14-10-19/h3-8,11-12,15,19H,9-10,13-14H2,1-2H3,(H,28,29)
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9n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105163
PNG
(US8569281, 201)
Show SMILES N#Cc1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C23H19N5O2/c24-14-15-2-1-3-16(12-15)20-13-17(4-8-25-20)22-21-19(27-28-22)5-9-26-23(21)30-18-6-10-29-11-7-18/h1-5,8-9,12-13,18H,6-7,10-11H2,(H,27,28)
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9n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105104
PNG
(US8569281, 116)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C20H20N6O2/c1-26-12-14(11-23-26)17-10-13(2-6-21-17)19-18-16(24-25-19)3-7-22-20(18)28-15-4-8-27-9-5-15/h2-3,6-7,10-12,15H,4-5,8-9H2,1H3,(H,24,25)
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10n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105171
PNG
(US8569281, 209)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C24H23N5O3/c1-15(30)27-18-4-2-3-16(13-18)21-14-17(5-9-25-21)23-22-20(28-29-23)6-10-26-24(22)32-19-7-11-31-12-8-19/h2-6,9-10,13-14,19H,7-8,11-12H2,1H3,(H,27,30)(H,28,29)
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10n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105114
PNG
(US8569281, 129)
Show SMILES C1CC(CO1)n1cnc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C22H23N5O3/c1-2-19-18(24-13-27(19)15-4-8-29-12-15)11-14(1)21-20-17(25-26-21)3-7-23-22(20)30-16-5-9-28-10-6-16/h1-3,7,11,13,15-16H,4-6,8-10,12H2,(H,25,26)
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10n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105172
PNG
(US8569281, 210)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C24H23N5O3/c1-15(30)27-18-4-2-16(3-5-18)21-14-17(6-10-25-21)23-22-20(28-29-23)7-11-26-24(22)32-19-8-12-31-13-9-19/h2-7,10-11,14,19H,8-9,12-13H2,1H3,(H,27,30)(H,28,29)
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11n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105090
PNG
(US8569281, 93)
Show SMILES C(C1CCOCC1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C20H25N5O3/c1-6-21-20(28-16-4-9-27-10-5-16)18-17(1)23-24-19(18)15-11-22-25(13-15)12-14-2-7-26-8-3-14/h1,6,11,13-14,16H,2-5,7-10,12H2,(H,23,24)
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11n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105128
PNG
(US8569281, 150)
Show SMILES C1CC(CCO1)Oc1nccc2[nH]nc(-c3cnc4ccccc4c3)c12
Show InChI InChI=1S/C20H18N4O2/c1-2-4-16-13(3-1)11-14(12-22-16)19-18-17(23-24-19)5-8-21-20(18)26-15-6-9-25-10-7-15/h1-5,8,11-12,15H,6-7,9-10H2,(H,23,24)
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12n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105175
PNG
(US8569281, 213)
Show SMILES CCn1cc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C21H22N6O2/c1-2-27-13-15(12-24-27)18-11-14(3-7-22-18)20-19-17(25-26-20)4-8-23-21(19)29-16-5-9-28-10-6-16/h3-4,7-8,11-13,16H,2,5-6,9-10H2,1H3,(H,25,26)
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12n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105166
PNG
(US8569281, 204)
Show SMILES C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3cn[nH]c3)c12
Show InChI InChI=1S/C19H18N6O2/c1-5-20-16(13-10-22-23-11-13)9-12(1)18-17-15(24-25-18)2-6-21-19(17)27-14-3-7-26-8-4-14/h1-2,5-6,9-11,14H,3-4,7-8H2,(H,22,23)(H,24,25)
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12n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105084
PNG
(US8569281, 78)
Show SMILES CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC(C)C(F)(F)F)c12
Show InChI InChI=1S/C15H16F3N5O/c1-8(2)23-7-10(6-20-23)13-12-11(21-22-13)4-5-19-14(12)24-9(3)15(16,17)18/h4-9H,1-3H3,(H,21,22)
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13n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105118
PNG
(US8569281, 138)
Show SMILES C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccc4cn[nH]c4c3)c12
Show InChI InChI=1S/C18H17N5O2/c1-2-12-10-20-21-15(12)9-11(1)17-16-14(22-23-17)3-6-19-18(16)25-13-4-7-24-8-5-13/h1-3,6,9-10,13H,4-5,7-8H2,(H,20,21)(H,22,23)
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13n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105158
PNG
(US8569281, 190)
Show SMILES C1CC(CO1)Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
Show InChI InChI=1S/C19H21N5O3/c1-4-20-16(24-6-9-25-10-7-24)11-13(1)18-17-15(22-23-18)2-5-21-19(17)27-14-3-8-26-12-14/h1-2,4-5,11,14H,3,6-10,12H2,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105156
PNG
(US8569281, 186)
Show SMILES C1CC(CCO1)Oc1nccc2[nH]nc(-c3cnn(c3)C3CCOCC3)c12
Show InChI InChI=1S/C19H23N5O3/c1-6-20-19(27-15-4-9-26-10-5-15)17-16(1)22-23-18(17)13-11-21-24(12-13)14-2-7-25-8-3-14/h1,6,11-12,14-15H,2-5,7-10H2,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105120
PNG
(US8569281, 140)
Show SMILES Cn1ncc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C19H19N5O2/c1-24-16-3-2-12(10-13(16)11-21-24)18-17-15(22-23-18)4-7-20-19(17)26-14-5-8-25-9-6-14/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105119
PNG
(US8569281, 139)
Show SMILES C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccc4nc[nH]c4c3)c12
Show InChI InChI=1S/C18H17N5O2/c1-2-13-15(21-10-20-13)9-11(1)17-16-14(22-23-17)3-6-19-18(16)25-12-4-7-24-8-5-12/h1-3,6,9-10,12H,4-5,7-8H2,(H,20,21)(H,22,23)
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US Patent
14n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105077
PNG
(US8569281, 64)
Show SMILES COc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12
Show InChI InChI=1S/C18H21N5O3/c1-10(2)23-7-11(6-14(23)17(24)20-12-8-26-9-12)16-15-13(21-22-16)4-5-19-18(15)25-3/h4-7,10,12H,8-9H2,1-3H3,(H,20,24)(H,21,22)
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US Patent
14n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105062
PNG
(US8569281, 6)
Show SMILES O=C(CCc1[nH]nc2ccnc(OC3CCCCC3)c12)N1CCC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H32N4O2/c31-24(30-17-7-10-20(18-30)19-8-3-1-4-9-19)14-13-22-25-23(29-28-22)15-16-27-26(25)32-21-11-5-2-6-12-21/h1,3-4,8-9,15-16,20-21H,2,5-7,10-14,17-18H2,(H,28,29)/t20-/m0/s1
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US Patent
14n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105173
PNG
(US8569281, 211)
Show SMILES CNC(=O)c1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C24H23N5O3/c1-25-23(30)17-4-2-3-15(13-17)20-14-16(5-9-26-20)22-21-19(28-29-22)6-10-27-24(21)32-18-7-11-31-12-8-18/h2-6,9-10,13-14,18H,7-8,11-12H2,1H3,(H,25,30)(H,28,29)
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US Patent
15n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105150
PNG
(US8569281, 177)
Show SMILES CC(Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O2/c1-11(18(19,20)21)28-17-15-13(3-5-23-17)24-25-16(15)12-2-4-22-14(10-12)26-6-8-27-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,25)
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US Patent
16n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105063
PNG
(US8569281, 8)
Show SMILES O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C22H32N6O/c29-20(28-14-12-27(13-15-28)17-6-7-17)9-8-18-21-19(26-25-18)10-11-23-22(21)24-16-4-2-1-3-5-16/h10-11,16-17H,1-9,12-15H2,(H,23,24)(H,25,26)
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US Patent
17n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105129
PNG
(US8569281, 151)
Show SMILES N#CCc1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C19H18N4O2/c20-8-4-13-2-1-3-14(12-13)18-17-16(22-23-18)5-9-21-19(17)25-15-6-10-24-11-7-15/h1-3,5,9,12,15H,4,6-7,10-11H2,(H,22,23)
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US Patent
17n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105073
PNG
(US8569281, 54)
Show SMILES CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(c3)C(C)C)c12
Show InChI InChI=1S/C19H25N5O2/c1-11(2)24-10-13(9-15(24)19(25)23(5)6)17-16-14(21-22-17)7-8-20-18(16)26-12(3)4/h7-12H,1-6H3,(H,21,22)
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US Patent
18n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM105165
PNG
(US8569281, 203)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C25H25N5O3/c1-30(2)25(31)18-5-3-4-16(14-18)21-15-17(6-10-26-21)23-22-20(28-29-23)7-11-27-24(22)33-19-8-12-32-13-9-19/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,28,29)
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US Patent
18n/an/an/an/an/an/an/an/a



Medical Research Council Technology; 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 US8569281 (2013)


BindingDB Entry DOI: 10.7270/Q2DN43PM
More data for this
Ligand-Target Pair
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