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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 231.2
BDBM105068
Wt: 219.2
BDBM105069
Wt: 232.2
BDBM105157
Wt: 217.2
BDBM105159
Wt: 234.6
BDBM50396157
Wt: 211.2
BDBM50431907
Wt: 238.2
BDBM185424
Wt: 242.2
BDBM185473
Wt: 233.2
BDBM254919
Wt: 225.2
BDBM254921
Wt: 234.2
BDBM254928
Wt: 211.2
BDBM162041
Wt: 213.2
BDBM162340
Wt: 199.2
BDBM162343
Wt: 244.2
BDBM282569
Displayed 1 to 15 (of 1689 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 32 hits in this display   
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 (LRRK2)


(Homo sapiens (Human))
BDBM50396157
PNG
(CHEMBL2171736)
Show SMILES CNc1nc(Nc2ccccc2)ncc1Cl
Show InChI InChI=1S/C11H11ClN4/c1-13-10-9(12)7-14-11(16-10)15-8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15,16)
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11n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2


J Med Chem 55: 5536-45 (2012)


Article DOI: 10.1021/jm300452p
BindingDB Entry DOI: 10.7270/Q2RR20CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50396157
PNG
(CHEMBL2171736)
Show SMILES CNc1nc(Nc2ccccc2)ncc1Cl
Show InChI InChI=1S/C11H11ClN4/c1-13-10-9(12)7-14-11(16-10)15-8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15,16)
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64n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 55: 5536-45 (2012)


Article DOI: 10.1021/jm300452p
BindingDB Entry DOI: 10.7270/Q2RR20CQ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM105068
PNG
(US8569281, 29)
Show SMILES CCC(C)Oc1nccc2n[nH]c(C3CC3)c12
Show InChI InChI=1S/C13H17N3O/c1-3-8(2)17-13-11-10(6-7-14-13)15-16-12(11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16)
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78n/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 (LRRK2)


(Homo sapiens (Human))
BDBM105157
PNG
(US8569281, 188)
Show SMILES Cc1[nH]nc2ccnc(NC3CCOCC3)c12
Show InChI InChI=1S/C12H16N4O/c1-8-11-10(16-15-8)2-5-13-12(11)14-9-3-6-17-7-4-9/h2,5,9H,3-4,6-7H2,1H3,(H,13,14)(H,15,16)
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130n/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 (LRRK2)


(Homo sapiens (Human))
BDBM105069
PNG
(US8569281, 31)
Show SMILES Cc1[nH]nc2ccnc(OC3CCOC3)c12
Show InChI InChI=1S/C11H13N3O2/c1-7-10-9(14-13-7)2-4-12-11(10)16-8-3-5-15-6-8/h2,4,8H,3,5-6H2,1H3,(H,13,14)
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158n/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 (LRRK2)


(Homo sapiens (Human))
BDBM105159
PNG
(CHEMBL2152709 | US8569281, 196)
Show SMILES Cc1[nH]nc2ccnc(OC3CCCC3)c12
Show InChI InChI=1S/C12H15N3O/c1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,15)
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858n/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 (LRRK2)


(Homo sapiens (Human))
BDBM105159
PNG
(CHEMBL2152709 | US8569281, 196)
Show SMILES Cc1[nH]nc2ccnc(OC3CCCC3)c12
Show InChI InChI=1S/C12H15N3O/c1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,15)
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858n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to LRRK2


ACS Med Chem Lett 3: 701-702 (2012)


Article DOI: 10.1021/ml300200p
BindingDB Entry DOI: 10.7270/Q2514092
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185473
PNG
(US9156845, 126)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
Show InChI InChI=1S/C12H14N6/c1-17(2)12-10-9(8-4-16-18(3)6-8)5-13-11(10)14-7-15-12/h4-7H,1-3H3,(H,13,14,15)
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n/an/a 35n/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))
BDBM185424
PNG
(US9156845, 68)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C14H14N4/c1-18(2)14-12-11(10-6-4-3-5-7-10)8-15-13(12)16-9-17-14/h3-9H,1-2H3,(H,15,16,17)
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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 (LRRK2)


(Homo sapiens (Human))
BDBM185473
PNG
(US9156845, 126)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
Show InChI InChI=1S/C12H14N6/c1-17(2)12-10-9(8-4-16-18(3)6-8)5-13-11(10)14-7-15-12/h4-7H,1-3H3,(H,13,14,15)
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n/an/a 55n/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))
BDBM185424
PNG
(US9156845, 68)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C14H14N4/c1-18(2)14-12-11(10-6-4-3-5-7-10)8-15-13(12)16-9-17-14/h3-9H,1-2H3,(H,15,16,17)
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n/an/a 63n/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))
BDBM50431907
PNG
(CHEMBL2347808)
Show SMILES CC(C)Nc1c(cnc2ccccc12)C#N
Show InChI InChI=1S/C13H13N3/c1-9(2)16-13-10(7-14)8-15-12-6-4-3-5-11(12)13/h3-6,8-9H,1-2H3,(H,15,16)
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n/an/a 103n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay


Bioorg Med Chem Lett 23: 1974-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.041
BindingDB Entry DOI: 10.7270/Q2FQ9XZ1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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n/an/a 170n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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n/an/a 195n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
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n/an/a 216n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
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n/an/a 240n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM162340
PNG
(US9669028, 108 3-methyl-5-(1-methyl-1H-pyrazol-4-y...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
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n/an/a>500n/an/an/an/a7.5n/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
The 2×DYRK1A/Ser/Thr 18 mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 μL Kinase Reaction consi...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM162340
PNG
(US9669028, 108 3-methyl-5-(1-methyl-1H-pyrazol-4-y...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
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n/an/a>500n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM162340
PNG
(US9669028, 108 3-methyl-5-(1-methyl-1H-pyrazol-4-y...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
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n/an/a>500n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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n/an/a 851n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM162041
PNG
(US9669028, 45 3-methyl-5-(pyrazin-2-yl)-1H-pyrazol...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnccn1
Show InChI InChI=1S/C11H9N5/c1-7-9-4-8(5-14-11(9)16-15-7)10-6-12-2-3-13-10/h2-6H,1H3,(H,14,15,16)
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n/an/a>1.00E+3n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM162041
PNG
(US9669028, 45 3-methyl-5-(pyrazin-2-yl)-1H-pyrazol...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnccn1
Show InChI InChI=1S/C11H9N5/c1-7-9-4-8(5-14-11(9)16-15-7)10-6-12-2-3-13-10/h2-6H,1H3,(H,14,15,16)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM162343
PNG
(US9669028, 117 5-(1-methyl-1H-pyrazol-4-yl)-1H-pyr...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C10H9N5/c1-15-6-9(5-13-15)7-2-8-4-12-14-10(8)11-3-7/h2-6H,1H3,(H,11,12,14)
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n/an/a>1.00E+3n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM162343
PNG
(US9669028, 117 5-(1-methyl-1H-pyrazol-4-yl)-1H-pyr...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C10H9N5/c1-15-6-9(5-13-15)7-2-8-4-12-14-10(8)11-3-7/h2-6H,1H3,(H,11,12,14)
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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n/an/a 1.28E+3n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM282569
PNG
(US9884828, 1-186)
Show SMILES CC(C)(C)c1ccc2nnc(C(N)=O)c(N)c2c1
Show InChI InChI=1S/C13H16N4O/c1-13(2,3)7-4-5-9-8(6-7)10(14)11(12(15)18)17-16-9/h4-6H,1-3H3,(H2,14,16)(H2,15,18)
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n/an/a 4.00E+3n/an/an/an/a7.525



Imago Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...


US Patent US9884828 (2018)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
PDB

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n/an/an/an/a 195n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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n/an/an/an/a 170n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
PDB

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n/an/an/an/a 851n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
PDB

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n/an/an/an/a 240n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
PDB

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n/an/an/an/a 1.28E+3n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
PDB

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n/an/an/an/a 216n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair