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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 7467   
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))
BDBM196757
PNG
(US9212173, 35)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccnn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H23F3N8/c1-6-22-15-12(18(19,20)21)9-23-16(26-15)25-13-10-29(27-11(13)2)17(3,4)14-7-8-24-28(14)5/h7-10H,6H2,1-5H3,(H2,22,23,25,26)
PDB

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UniProtKB/SwissProt

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US Patent
0.300n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196754
PNG
(US9212173, 32)
Show SMILES CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N9/c1-5-21-12-9(16(18,19)20)6-22-14(25-12)24-10-7-29(26-11(10)17)15(2,3)13-23-8-28(4)27-13/h6-8H,5H2,1-4H3,(H2,21,22,24,25)
PDB

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0.5n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196752
PNG
(US9212173, 30)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(n2)C(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C19H26F3N9/c1-7-23-15-13(19(20,21)22)8-24-17(27-15)26-14-9-31(28-12(14)4)18(5,6)16-25-10-30(29-16)11(2)3/h8-11H,7H2,1-6H3,(H2,23,24,26,27)
PDB

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0.600n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196759
PNG
(US9212173, 37)
Show SMILES CNc1nc(Nc2cn(nc2C)C2CCOC[C@H]2F)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C15H18F4N6O/c1-8-11(6-25(24-8)12-3-4-26-7-10(12)16)22-14-21-5-9(15(17,18)19)13(20-2)23-14/h5-6,10,12H,3-4,7H2,1-2H3,(H2,20,21,22,23)/t10-,12?/m1/s1
PDB

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0.600n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196762
PNG
(US9212173, 40)
Show SMILES CNc1nc(Nc2cnn(C3CCOC[C@@H]3F)c2C)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C15H18F4N6O/c1-8-11(6-22-25(8)12-3-4-26-7-10(12)16)23-14-21-5-9(15(17,18)19)13(20-2)24-14/h5-6,10,12H,3-4,7H2,1-2H3,(H2,20,21,23,24)/t10-,12?/m0/s1
PDB

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0.600n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50448127
PNG
(CHEMBL3122119 | US9212173, 44)
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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0.700n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196742
PNG
(US9212173, 20)
Show SMILES CCNc1nc(Nc2cn(nc2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
Show InChI InChI=1S/C14H19F3N6O3S/c1-4-18-12-10(14(15,16)17)7-19-13(21-12)20-11-8-23(22-9(11)2)27(24,25)6-5-26-3/h7-8H,4-6H2,1-3H3,(H2,18,19,20,21)
PDB

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0.960n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196741
PNG
(US9212173, 19)
Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)COC2)ncc1C(F)(F)F
Show InChI InChI=1S/C15H19F3N6O/c1-4-19-12-10(15(16,17)18)5-20-13(22-12)21-11-6-24(23-9(11)2)14(3)7-25-8-14/h5-6H,4,7-8H2,1-3H3,(H2,19,20,21,22)
PDB

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0.975n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196745
PNG
(US9212173, 23)
Show SMILES CCNc1nc(Nc2cnn(c2Cl)C(C)(C)c2nncn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N9/c1-5-21-12-9(16(18,19)20)6-22-14(26-12)25-10-7-24-29(11(10)17)15(2,3)13-27-23-8-28(13)4/h6-8H,5H2,1-4H3,(H2,21,22,25,26)
PDB

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1.10n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196736
PNG
(US9212173, 14)
Show SMILES CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(CC)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C17H21ClF3N9/c1-5-22-13-10(17(19,20)21)7-23-15(26-13)25-11-8-30(27-12(11)18)16(3,4)14-24-9-29(6-2)28-14/h7-9H,5-6H2,1-4H3,(H2,22,23,25,26)
PDB

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1.10n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196743
PNG
(US9212173, 21)
Show SMILES CNc1nc(Nc2cn(nc2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
Show InChI InChI=1S/C13H17F3N6O3S/c1-8-10(7-22(21-8)26(23,24)5-4-25-3)19-12-18-6-9(13(14,15)16)11(17-2)20-12/h6-7H,4-5H2,1-3H3,(H2,17,18,19,20)
PDB

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1.85n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196755
PNG
(US9212173, 33)
Show SMILES CNc1nc(Nc2cnn(CCc3ccn(C)n3)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H19F3N8/c1-10-13(9-22-27(10)7-5-11-4-6-26(3)25-11)23-15-21-8-12(16(17,18)19)14(20-2)24-15/h4,6,8-9H,5,7H2,1-3H3,(H2,20,21,23,24)
PDB

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2n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196761
PNG
(US9212173, 39)
Show SMILES CNc1nc(Nc2cnn(C3CCOC[C@H]3F)c2C)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C15H18F4N6O/c1-8-11(6-22-25(8)12-3-4-26-7-10(12)16)23-14-21-5-9(15(17,18)19)13(20-2)24-14/h5-6,10,12H,3-4,7H2,1-2H3,(H2,20,21,23,24)/t10-,12?/m1/s1
PDB

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2.80n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196735
PNG
(US9212173, 13)
Show SMILES CNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C15H17ClF3N9/c1-14(2,12-22-7-27(4)26-12)28-6-9(10(16)25-28)23-13-21-5-8(15(17,18)19)11(20-3)24-13/h5-7H,1-4H3,(H2,20,21,23,24)
PDB

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2.90n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196767
PNG
(US9212173, 46)
Show SMILES Cc1nn(cc1Nc1ncc(C#N)c(NC2CC2)n1)C(C)(C)C#N
Show InChI InChI=1S/C16H18N8/c1-10-13(8-24(23-10)16(2,3)9-18)21-15-19-7-11(6-17)14(22-15)20-12-4-5-12/h7-8,12H,4-5H2,1-3H3,(H2,19,20,21,22)
PDB

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3n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196749
PNG
(US9212173, 27)
Show SMILES CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2nnc(C)o2)ncc1C(F)(F)F
Show InChI InChI=1S/C16H18ClF3N8O/c1-5-21-12-9(16(18,19)20)6-22-14(24-12)23-10-7-28(27-11(10)17)15(3,4)13-26-25-8(2)29-13/h6-7H,5H2,1-4H3,(H2,21,22,23,24)
PDB

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3.70n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196758
PNG
(US9212173, 36)
Show SMILES CNc1nc(Nc2cn(CCc3ccn(C)n3)nc2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H19F3N8/c1-10-13(9-27(24-10)7-5-11-4-6-26(3)25-11)22-15-21-8-12(16(17,18)19)14(20-2)23-15/h4,6,8-9H,5,7H2,1-3H3,(H2,20,21,22,23)
PDB

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3.70n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196740
PNG
(US9212173, 18)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncc(C)o2)ncc1C(F)(F)F
Show InChI InChI=1S/C17H20F3N7O/c1-9-6-22-14(28-9)16(3,4)27-8-12(10(2)26-27)24-15-23-7-11(17(18,19)20)13(21-5)25-15/h6-8H,1-5H3,(H2,21,23,24,25)
PDB

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3.82n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196764
PNG
(US9212173, 42)
Show SMILES CCC(Cn1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1)C#N
Show InChI InChI=1S/C15H18F3N7/c1-4-10(5-19)7-25-8-12(9(2)24-25)22-14-21-6-11(15(16,17)18)13(20-3)23-14/h6,8,10H,4,7H2,1-3H3,(H2,20,21,22,23)
PDB

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4.10n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196748
PNG
(US9212173, 26)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncccn2)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N8/c1-10-12(9-28(27-10)16(2,3)14-22-6-5-7-23-14)25-15-24-8-11(17(18,19)20)13(21-4)26-15/h5-9H,1-4H3,(H2,21,24,25,26)
PDB

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4.30n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196731
PNG
(US9212173, 9)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)CO)ncc1C(F)(F)F
Show InChI InChI=1S/C14H19F3N6O/c1-8-10(6-23(22-8)13(2,3)7-24)20-12-19-5-9(14(15,16)17)11(18-4)21-12/h5-6,24H,7H2,1-4H3,(H2,18,19,20,21)
PDB

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4.80n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196737
PNG
(US9212173, 15)
Show SMILES CNc1nc(Nc2cn(nc2C)C2(C)COC2)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O/c1-8-10(5-23(22-8)13(2)6-24-7-13)20-12-19-4-9(14(15,16)17)11(18-3)21-12/h4-5H,6-7H2,1-3H3,(H2,18,19,20,21)
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4.80n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196732
PNG
(US9212173, 10)
Show SMILES CNc1nc(Nc2cnn(CC3(O)CC3)c2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C13H14ClF3N6O/c1-18-10-7(13(15,16)17)4-19-11(22-10)21-8-5-20-23(9(8)14)6-12(24)2-3-12/h4-5,24H,2-3,6H2,1H3,(H2,18,19,21,22)
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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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196729
PNG
(US9212173, 7)
Show SMILES CCNc1nc(Nc2cnn(C3CCOCC3)c2Cl)ncc1C#N
Show InChI InChI=1S/C15H18ClN7O/c1-2-18-14-10(7-17)8-19-15(22-14)21-12-9-20-23(13(12)16)11-3-5-24-6-4-11/h8-9,11H,2-6H2,1H3,(H2,18,19,21,22)
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6.20n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196744
PNG
(US9212173, 22)
Show SMILES CNc1nc(Nc2cnn(c2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
Show InChI InChI=1S/C13H17F3N6O3S/c1-8-10(7-19-22(8)26(23,24)5-4-25-3)20-12-18-6-9(13(14,15)16)11(17-2)21-12/h6-7H,4-5H2,1-3H3,(H2,17,18,20,21)
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6.46n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196751
PNG
(US9212173, 29)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2nnc(CC)o2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H23F3N8O/c1-6-13-26-27-15(30-13)17(4,5)29-9-12(10(3)28-29)24-16-23-8-11(18(19,20)21)14(25-16)22-7-2/h8-9H,6-7H2,1-5H3,(H2,22,23,24,25)
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6.5n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196725
PNG
(US9212173, 3)
Show SMILES Cc1c(Nc2ncc(C#N)c(NC3CC3)n2)cnn1C1CCOCC1
Show InChI InChI=1S/C17H21N7O/c1-11-15(10-20-24(11)14-4-6-25-7-5-14)22-17-19-9-12(8-18)16(23-17)21-13-2-3-13/h9-10,13-14H,2-7H2,1H3,(H2,19,21,22,23)
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7.30n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196766
PNG
(US9212173, 45)
Show SMILES CNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-13(2,7-18)9-5-10(24(4)23-9)21-12-20-6-8(14(15,16)17)11(19-3)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
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8.60n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196763
PNG
(US9212173, 41)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)CC#N)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F3N7/c1-9-11(8-25(24-9)14(2,3)5-6-19)22-13-21-7-10(15(16,17)18)12(20-4)23-13/h7-8H,5H2,1-4H3,(H2,20,21,22,23)
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12.8n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196746
PNG
(US9212173, 24 | US9212173, 25)
Show SMILES CNc1nc(Nc2cnn(CC(C)c3ccn(C)n3)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H21F3N8/c1-10(13-5-6-27(4)26-13)9-28-11(2)14(8-23-28)24-16-22-7-12(17(18,19)20)15(21-3)25-16/h5-8,10H,9H2,1-4H3,(H2,21,22,24,25)
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16.6n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196756
PNG
(US10590114, No. 18 | US11111235, No. 18 | US115913...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H23F3N8/c1-6-22-15-12(18(19,20)21)9-23-16(25-15)24-13-10-29(26-11(13)2)17(3,4)14-7-8-28(5)27-14/h7-10H,6H2,1-5H3,(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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196771
PNG
(US9212173, 50)
Show SMILES CCNc1nc(Nc2cc(nn2C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C12H12F3N7/c1-3-17-10-8(12(13,14)15)6-18-11(20-10)19-9-4-7(5-16)21-22(9)2/h4,6H,3H2,1-2H3,(H2,17,18,19,20)
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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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196753
PNG
(US9212173, 31)
Show SMILES CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2nncn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N9/c1-5-21-12-9(16(18,19)20)6-22-14(25-12)24-10-7-29(27-11(10)17)15(2,3)13-26-23-8-28(13)4/h6-8H,5H2,1-4H3,(H2,21,22,24,25)
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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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196746
PNG
(US9212173, 24 | US9212173, 25)
Show SMILES CNc1nc(Nc2cnn(CC(C)c3ccn(C)n3)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H21F3N8/c1-10(13-5-6-27(4)26-13)9-28-11(2)14(8-23-28)24-16-22-7-12(17(18,19)20)15(21-3)25-16/h5-8,10H,9H2,1-4H3,(H2,21,22,24,25)
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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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196738
PNG
(US9212173, 16)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2nc(C)cn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H23F3N8/c1-10-8-28(6)15(24-10)17(3,4)29-9-13(11(2)27-29)25-16-23-7-12(18(19,20)21)14(22-5)26-16/h7-9H,1-6H3,(H2,22,23,25,26)
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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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196733
PNG
(US9212173, 11)
Show SMILES CCn1cnnc1C(C)(C)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(Cl)n1
Show InChI InChI=1S/C16H19ClF3N9/c1-5-28-8-23-26-13(28)15(2,3)29-7-10(11(17)27-29)24-14-22-6-9(16(18,19)20)12(21-4)25-14/h6-8H,5H2,1-4H3,(H2,21,22,24,25)
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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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM196739
PNG
(US9212173, 17)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncc(C)n2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H23F3N8/c1-10-7-23-15(28(10)6)17(3,4)29-9-13(11(2)27-29)25-16-24-8-12(18(19,20)21)14(22-5)26-16/h7-9H,1-6H3,(H2,22,24,25,26)
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868n/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. In 3...


US Patent US9212173 (2015)


BindingDB Entry DOI: 10.7270/Q2222SKT
More data for this
Ligand-Target Pair