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Patent code WO2022093881

Compile Data Set for Download or QSAR

Found 239 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548504
PNG
(WO2022093881, Ex-10.13)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@H]3c3cccs3)ncc2cc1Cl
Show InChI InChI=1S/C26H29ClN4O3S/c1-26(15-34-14-23(26)32)31-6-4-30(5-7-31)21-10-16-11-24(28-13-17(16)9-20(21)27)29-25(33)19-12-18(19)22-3-2-8-35-22/h2-3,8-11,13,18-19,23,32H,4-7,12,14-15H2,1H3,(H,28,29,33)/t18-,19+,23+,26-/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548515
PNG
(WO2022093881, Ex-10.24)
Show SMILES CCO[C@H]1C[C@@]2(C[C@@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@]4(C)COC[C@@H]4F)c(Cl)cc3cn2)C1
Show InChI InChI=1S/C27H34ClFN4O3/c1-3-36-19-11-27(12-19)13-20(27)25(34)31-24-10-17-9-22(21(28)8-18(17)14-30-24)32-4-6-33(7-5-32)26(2)16-35-15-23(26)29/h8-10,14,19-20,23H,3-7,11-13,15-16H2,1-2H3,(H,30,31,34)/t19-,20-,23+,26-,27-/m1/s1
PDB

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n/an/a 0.0800n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548523
PNG
(WO2022093881, Ex-10.32)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@H]3C3CCOCC3)ncc2cc1Cl
Show InChI InChI=1S/C27H35ClN4O4/c1-27(16-36-15-24(27)33)32-6-4-31(5-7-32)23-11-18-12-25(29-14-19(18)10-22(23)28)30-26(34)21-13-20(21)17-2-8-35-9-3-17/h10-12,14,17,20-21,24,33H,2-9,13,15-16H2,1H3,(H,29,30,34)/t20-,21-,24-,27+/m0/s1
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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548545
PNG
(WO2022093881, Ex-10.54 | WO2022093881, Ex-10.64)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C27H33ClN6O3/c1-16-24(20-4-5-32(3)31-20)25(16)26(36)30-23-12-17-11-21(19(28)10-18(17)13-29-23)33-6-8-34(9-7-33)27(2)15-37-14-22(27)35/h4-5,10-13,16,22,24-25,35H,6-9,14-15H2,1-3H3,(H,29,30,36)/t16-,22-,24+,25-,27+/m1/s1
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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548557
PNG
(WO2022093881, Ex-10.66)
Show SMILES CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C28H35ClN6O3/c1-4-19-25(21-5-6-33(3)32-21)26(19)27(37)31-24-13-17-12-22(20(29)11-18(17)14-30-24)34-7-9-35(10-8-34)28(2)16-38-15-23(28)36/h5-6,11-14,19,23,25-26,36H,4,7-10,15-16H2,1-3H3,(H,30,31,37)/t19-,23-,25+,26-,28+/m1/s1
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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548564
PNG
(WO2022093881, Ex-10.73)
Show SMILES Cc1cc2cnc(NC(=O)[C@@H]3CC33CC3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1F
Show InChI InChI=1S/C25H31FN4O2/c1-16-9-18-13-27-22(28-23(31)19-12-25(19)3-4-25)11-17(18)10-20(16)29-5-7-30(8-6-29)24(2)15-32-14-21(24)26/h9-11,13,19,21H,3-8,12,14-15H2,1-2H3,(H,27,28,31)/t19-,21-,24+/m0/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548597
PNG
(WO2022093881, Ex-14.2)
Show SMILES C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1Cl)[C@]1(C)COC[C@@H]1O
Show InChI InChI=1S/C27H35ClN4O4/c1-17-14-31(26(2)16-36-15-23(26)33)5-6-32(17)22-10-18-11-24(29-13-19(18)9-21(22)28)30-25(34)20-12-27(20)3-7-35-8-4-27/h9-11,13,17,20,23,33H,3-8,12,14-16H2,1-2H3,(H,29,30,34)/t17-,20-,23-,26+/m0/s1
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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548446
PNG
(WO2022093881, Ex-5.17)
Show SMILES Clc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3cncnc3)cc2cc1N1CCC(CC1)C#N
Show InChI InChI=1S/C23H21ClN6O/c24-20-5-16-12-28-22(29-23(31)19-8-18(19)17-10-26-13-27-11-17)7-15(16)6-21(20)30-3-1-14(9-25)2-4-30/h5-7,10-14,18-19H,1-4,8H2,(H,28,29,31)/t18-,19+/m0/s1
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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548484
PNG
(WO2022093881, Ex-9.14)
Show SMILES C[C@H]1[C@@H](C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(C)cc2cn1
Show InChI InChI=1S/C28H36N6O2/c1-18-11-21-14-29-24(31-27(35)26-19(2)25(26)22-15-30-32(4)16-22)13-20(21)12-23(18)33-6-8-34(9-7-33)28(3)5-10-36-17-28/h11-16,19,25-26H,5-10,17H2,1-4H3,(H,29,31,35)/t19-,25?,26+,28?/m1/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548491
PNG
(WO2022093881, Ex-9.21)
Show SMILES Cc1cc2cnc(NC(=O)C3CC3c3ccccn3)cc2cc1N1CCN(CC1)C1(C)CCOC1
Show InChI InChI=1S/C28H33N5O2/c1-19-13-21-17-30-26(31-27(34)23-16-22(23)24-5-3-4-7-29-24)15-20(21)14-25(19)32-8-10-33(11-9-32)28(2)6-12-35-18-28/h3-5,7,13-15,17,22-23H,6,8-12,16,18H2,1-2H3,(H,30,31,34)
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548541
PNG
(WO2022093881, Ex-10.50)
Show SMILES CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1
Show InChI InChI=1S/C28H34ClFN6O2/c1-4-19-25(21-5-6-34(3)33-21)26(19)27(37)32-24-13-17-12-22(20(29)11-18(17)14-31-24)35-7-9-36(10-8-35)28(2)16-38-15-23(28)30/h5-6,11-14,19,23,25-26H,4,7-10,15-16H2,1-3H3,(H,31,32,37)/t19-,23-,25+,26-,28+/m1/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548522
PNG
(WO2022093881, Ex-10.31 | WO2022093881, Ex-10.69)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C3CCOCC3)ncc2cc1Cl
Show InChI InChI=1S/C27H35ClN4O4/c1-27(16-36-15-24(27)33)32-6-4-31(5-7-32)23-11-18-12-25(29-14-19(18)10-22(23)28)30-26(34)21-13-20(21)17-2-8-35-9-3-17/h10-12,14,17,20-21,24,33H,2-9,13,15-16H2,1H3,(H,29,30,34)/t20-,21-,24+,27-/m1/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548576
PNG
(WO2022093881, Ex-10.85)
Show SMILES C[C@@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCOC1
Show InChI InChI=1S/C27H35ClN4O4/c1-26(19-3-8-35-14-19)12-20(26)25(34)30-24-11-17-10-22(21(28)9-18(17)13-29-24)31-4-6-32(7-5-31)27(2)16-36-15-23(27)33/h9-11,13,19-20,23,33H,3-8,12,14-16H2,1-2H3,(H,29,30,34)/t19?,20-,23+,26+,27-/m0/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548578
PNG
(WO2022093881, Ex-10.87)
Show SMILES C[C@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCOC1
Show InChI InChI=1S/C27H35ClN4O4/c1-26(19-3-8-35-14-19)12-20(26)25(34)30-24-11-17-10-22(21(28)9-18(17)13-29-24)31-4-6-32(7-5-31)27(2)16-36-15-23(27)33/h9-11,13,19-20,23,33H,3-8,12,14-16H2,1-2H3,(H,29,30,34)/t19?,20-,23+,26-,27-/m0/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548462
PNG
(WO2022093881, Ex-6.13)
Show SMILES Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccccn3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1F
Show InChI InChI=1S/C28H32FN5O2/c1-18-11-20-15-31-26(32-27(35)22-14-21(22)23-5-3-4-6-30-23)13-19(20)12-24(18)33-7-9-34(10-8-33)28(2)17-36-16-25(28)29/h3-6,11-13,15,21-22,25H,7-10,14,16-17H2,1-2H3,(H,31,32,35)/t21-,22-,25+,28-/m1/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548482
PNG
(WO2022093881, Ex-9.12)
Show SMILES C[C@H]1[C@H](C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(C)cc2cn1
Show InChI InChI=1S/C28H36N6O2/c1-18-11-21-14-29-24(31-27(35)26-19(2)25(26)22-15-30-32(4)16-22)13-20(21)12-23(18)33-6-8-34(9-7-33)28(3)5-10-36-17-28/h11-16,19,25-26H,5-10,17H2,1-4H3,(H,29,31,35)/t19-,25?,26-,28?/m1/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548490
PNG
(WO2022093881, Ex-9.20)
Show SMILES CCC1C(C1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3F)c(C)cc2cn1
Show InChI InChI=1S/C30H36FN5O2/c1-4-22-27(23-7-5-6-8-32-23)28(22)29(37)34-26-15-20-14-24(19(2)13-21(20)16-33-26)35-9-11-36(12-10-35)30(3)18-38-17-25(30)31/h5-8,13-16,22,25,27-28H,4,9-12,17-18H2,1-3H3,(H,33,34,37)
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548531
PNG
(WO2022093881, Ex-10.40)
Show SMILES C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H](C3)C#N)ncc2cc1Cl
Show InChI InChI=1S/C24H27ClFN5O2/c1-24(14-33-13-21(24)26)31-4-2-30(3-5-31)20-9-16-10-22(28-12-18(16)8-19(20)25)29-23(32)17-6-15(7-17)11-27/h8-10,12,15,17,21H,2-7,13-14H2,1H3,(H,28,29,32)/t15-,17-,21-,24+/m1/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548540
PNG
(WO2022093881, Ex-10.49)
Show SMILES CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1
Show InChI InChI=1S/C28H34ClFN6O2/c1-4-19-25(21-5-6-34(3)33-21)26(19)27(37)32-24-13-17-12-22(20(29)11-18(17)14-31-24)35-7-9-36(10-8-35)28(2)16-38-15-23(28)30/h5-6,11-14,19,23,25-26H,4,7-10,15-16H2,1-3H3,(H,31,32,37)/t19-,23+,25+,26-,28-/m1/s1
PDB

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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548544
PNG
(WO2022093881, Ex-10.53 | WO2022093881, Ex-10.63)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C27H33ClN6O3/c1-16-24(20-4-5-32(3)31-20)25(16)26(36)30-23-12-17-11-21(19(28)10-18(17)13-29-23)33-6-8-34(9-7-33)27(2)15-37-14-22(27)35/h4-5,10-13,16,22,24-25,35H,6-9,14-15H2,1-3H3,(H,29,30,36)/t16-,22+,24+,25-,27-/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548550
PNG
(WO2022093881, Ex-10.59)
Show SMILES Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccn(C)n3)cc2cc1N1CCN(CC1)[C@]1(C)COC[C@@H]1F
Show InChI InChI=1S/C27H33FN6O2/c1-17-10-19-14-29-25(30-26(35)21-13-20(21)22-4-5-32(3)31-22)12-18(19)11-23(17)33-6-8-34(9-7-33)27(2)16-36-15-24(27)28/h4-5,10-12,14,20-21,24H,6-9,13,15-16H2,1-3H3,(H,29,30,35)/t20-,21-,24+,27-/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548561
PNG
(WO2022093881, Ex-10.70)
Show SMILES C[C@@]1(COC[C@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C3CCOCC3)ncc2cc1Cl
Show InChI InChI=1S/C27H35ClN4O4/c1-27(16-36-15-24(27)33)32-6-4-31(5-7-32)23-11-18-12-25(29-14-19(18)10-22(23)28)30-26(34)21-13-20(21)17-2-8-35-9-3-17/h10-12,14,17,20-21,24,33H,2-9,13,15-16H2,1H3,(H,29,30,34)/t20-,21-,24-,27+/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548565
PNG
(WO2022093881, Ex-10.74)
Show SMILES Cc1cc2cnc(NC(=O)[C@@H]3CC33CC3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1F
Show InChI InChI=1S/C25H31FN4O2/c1-16-9-18-13-27-22(28-23(31)19-12-25(19)3-4-25)11-17(18)10-20(16)29-5-7-30(8-6-29)24(2)15-32-14-21(24)26/h9-11,13,19,21H,3-8,12,14-15H2,1-2H3,(H,27,28,31)/t19-,21+,24-/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548570
PNG
(WO2022093881, Ex-10.79)
Show SMILES C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC33CC3)ncc2cc1Cl
Show InChI InChI=1S/C24H28ClFN4O2/c1-23(14-32-13-20(23)26)30-6-4-29(5-7-30)19-9-15-10-21(27-12-16(15)8-18(19)25)28-22(31)17-11-24(17)2-3-24/h8-10,12,17,20H,2-7,11,13-14H2,1H3,(H,27,28,31)/t17-,20-,23+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548572
PNG
(WO2022093881, Ex-10.81)
Show SMILES C[C@@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1)C1CCOC1
Show InChI InChI=1S/C27H35ClN4O4/c1-26(19-3-8-35-14-19)12-20(26)25(34)30-24-11-17-10-22(21(28)9-18(17)13-29-24)31-4-6-32(7-5-31)27(2)16-36-15-23(27)33/h9-11,13,19-20,23,33H,3-8,12,14-16H2,1-2H3,(H,29,30,34)/t19?,20-,23-,26+,27+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548599
PNG
(WO2022093881, Ex-15.2)
Show SMILES C[C@H]1CN(CCN1c1cc2cc(NC(=O)[C@@H]3CC33CCOCC3)ncc2cc1C)[C@]1(C)COC[C@@H]1O
Show InChI InChI=1S/C28H38N4O4/c1-18-10-21-14-29-25(30-26(34)22-13-28(22)4-8-35-9-5-28)12-20(21)11-23(18)32-7-6-31(15-19(32)2)27(3)17-36-16-24(27)33/h10-12,14,19,22,24,33H,4-9,13,15-17H2,1-3H3,(H,29,30,34)/t19-,22-,24-,27+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548477
PNG
(WO2022093881, Ex-9.7)
Show SMILES C[C@@H]1[C@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)CCOC3)c(Cl)cc2cn1
Show InChI InChI=1S/C27H33ClN6O2/c1-17-24(20-14-30-32(3)15-20)25(17)26(35)31-23-12-18-11-22(21(28)10-19(18)13-29-23)33-5-7-34(8-6-33)27(2)4-9-36-16-27/h10-15,17,24-25H,4-9,16H2,1-3H3,(H,29,31,35)/t17-,24-,25+,27?/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548542
PNG
(WO2022093881, Ex-10.51)
Show SMILES CC[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3F)c(Cl)cc2cn1
Show InChI InChI=1S/C28H34ClFN6O2/c1-4-19-25(21-5-6-34(3)33-21)26(19)27(37)32-24-13-17-12-22(20(29)11-18(17)14-31-24)35-7-9-36(10-8-35)28(2)16-38-15-23(28)30/h5-6,11-14,19,23,25-26H,4,7-10,15-16H2,1-3H3,(H,31,32,37)/t19-,23-,25+,26-,28+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548545
PNG
(WO2022093881, Ex-10.54 | WO2022093881, Ex-10.64)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C27H33ClN6O3/c1-16-24(20-4-5-32(3)31-20)25(16)26(36)30-23-12-17-11-21(19(28)10-18(17)13-29-23)33-6-8-34(9-7-33)27(2)15-37-14-22(27)35/h4-5,10-13,16,22,24-25,35H,6-9,14-15H2,1-3H3,(H,29,30,36)/t16-,22-,24+,25-,27+/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548556
PNG
(WO2022093881, Ex-10.65)
Show SMILES CC[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C28H35ClN6O3/c1-4-19-25(21-5-6-33(3)32-21)26(19)27(37)31-24-13-17-12-22(20(29)11-18(17)14-30-24)34-7-9-35(10-8-34)28(2)16-38-15-23(28)36/h5-6,11-14,19,23,25-26,36H,4,7-10,15-16H2,1-3H3,(H,30,31,37)/t19-,23+,25+,26-,28-/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548528
PNG
(WO2022093881, Ex-10.37)
Show SMILES CC[C@H]1[C@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)CCOC3)c(C)cc2cn1
Show InChI InChI=1S/C29H38N6O2/c1-5-23-26(22-16-31-33(4)17-22)27(23)28(36)32-25-14-20-13-24(19(2)12-21(20)15-30-25)34-7-9-35(10-8-34)29(3)6-11-37-18-29/h12-17,23,26-27H,5-11,18H2,1-4H3,(H,30,32,36)/t23-,26-,27-,29+/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548544
PNG
(WO2022093881, Ex-10.53 | WO2022093881, Ex-10.63)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C27H33ClN6O3/c1-16-24(20-4-5-32(3)31-20)25(16)26(36)30-23-12-17-11-21(19(28)10-18(17)13-29-23)33-6-8-34(9-7-33)27(2)15-37-14-22(27)35/h4-5,10-13,16,22,24-25,35H,6-9,14-15H2,1-3H3,(H,29,30,36)/t16-,22+,24+,25-,27-/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548563
PNG
(WO2022093881, Ex-10.72)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(Cl)cc2cn1
Show InChI InChI=1S/C28H31ClFN5O2/c1-17-25(21-5-3-4-6-31-21)26(17)27(36)33-24-13-18-12-22(20(29)11-19(18)14-32-24)34-7-9-35(10-8-34)28(2)16-37-15-23(28)30/h3-6,11-14,17,23,25-26H,7-10,15-16H2,1-2H3,(H,32,33,36)/t17-,23-,25+,26-,28+/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548568
PNG
(WO2022093881, Ex-10.77)
Show SMILES C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)F)ncc2cc1Cl
Show InChI InChI=1S/C23H26ClF3N4O2/c1-23(12-33-11-19(23)25)31-4-2-30(3-5-31)18-7-13-8-20(28-10-14(13)6-17(18)24)29-22(32)16-9-15(16)21(26)27/h6-8,10,15-16,19,21H,2-5,9,11-12H2,1H3,(H,28,29,32)/t15-,16-,19-,23+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548577
PNG
(WO2022093881, Ex-10.86)
Show SMILES C[C@@]1(C[C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)C1CCOC1
Show InChI InChI=1S/C27H35ClN4O4/c1-26(19-3-8-35-14-19)12-20(26)25(34)30-24-11-17-10-22(21(28)9-18(17)13-29-24)31-4-6-32(7-5-31)27(2)16-36-15-23(27)33/h9-11,13,19-20,23,33H,3-8,12,14-16H2,1-2H3,(H,29,30,34)/t19?,20-,23-,26-,27+/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548582
PNG
(WO2022093881, Ex-10.91)
Show SMILES CC1(C)[C@H]([C@@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1)C1CCCCO1
Show InChI InChI=1S/C29H39ClN4O4/c1-28(2)25(22-6-4-5-11-38-22)26(28)27(36)32-24-14-18-13-21(20(30)12-19(18)15-31-24)33-7-9-34(10-8-33)29(3)17-37-16-23(29)35/h12-15,22-23,25-26,35H,4-11,16-17H2,1-3H3,(H,31,32,36)/t22?,23-,25-,26+,29+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548590
PNG
(WO2022093881, Ex-11.3)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccccn1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C28H32ClN5O3/c1-17-25(21-5-3-4-6-30-21)26(17)27(36)32-24-13-18-12-22(20(29)11-19(18)14-31-24)33-7-9-34(10-8-33)28(2)16-37-15-23(28)35/h3-6,11-14,17,23,25-26,35H,7-10,15-16H2,1-2H3,(H,31,32,36)/t17-,23+,25+,26-,28-/m1/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548521
PNG
(WO2022093881, Ex-10.30)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccco3)ncc2cc1Cl
Show InChI InChI=1S/C26H29ClN4O4/c1-26(15-34-14-23(26)32)31-6-4-30(5-7-31)21-10-16-11-24(28-13-17(16)9-20(21)27)29-25(33)19-12-18(19)22-3-2-8-35-22/h2-3,8-11,13,18-19,23,32H,4-7,12,14-15H2,1H3,(H,28,29,33)/t18-,19-,23-,26+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548530
PNG
(WO2022093881, Ex-10.39)
Show SMILES C[C@]1(COC[C@@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H](C3)C#N)ncc2cc1Cl
Show InChI InChI=1S/C24H27ClFN5O2/c1-24(14-33-13-21(24)26)31-4-2-30(3-5-31)20-9-16-10-22(28-12-18(16)8-19(20)25)29-23(32)17-6-15(7-17)11-27/h8-10,12,15,17,21H,2-7,13-14H2,1H3,(H,28,29,32)/t15-,17-,21-,24+/m0/s1
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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548548
PNG
(WO2022093881, Ex-10.57)
Show SMILES C[C@H]1[C@H]([C@@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(C)cc2cn1
Show InChI InChI=1S/C28H35FN6O2/c1-17-11-20-14-30-24(31-27(36)26-18(2)25(26)21-5-6-33(4)32-21)13-19(20)12-22(17)34-7-9-35(10-8-34)28(3)16-37-15-23(28)29/h5-6,11-14,18,23,25-26H,7-10,15-16H2,1-4H3,(H,30,31,36)/t18-,23-,25+,26-,28+/m1/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548553
PNG
(WO2022093881, Ex-10.62)
Show SMILES Cn1ncc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(N4CCN(CC4)[C@@]4(C)COC[C@H]4F)c(Cl)cc3cn2)c1C(F)(F)F
Show InChI InChI=1S/C27H29ClF4N6O2/c1-26(14-40-13-22(26)29)38-5-3-37(4-6-38)21-8-15-9-23(33-11-16(15)7-20(21)28)35-25(39)18-10-17(18)19-12-34-36(2)24(19)27(30,31)32/h7-9,11-12,17-18,22H,3-6,10,13-14H2,1-2H3,(H,33,35,39)/t17-,18-,22-,26+/m1/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548569
PNG
(WO2022093881, Ex-10.78)
Show SMILES C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)F)ncc2cc1Cl
Show InChI InChI=1S/C23H26ClF3N4O2/c1-23(12-33-11-19(23)25)31-4-2-30(3-5-31)18-7-13-8-20(28-10-14(13)6-17(18)24)29-22(32)16-9-15(16)21(26)27/h6-8,10,15-16,19,21H,2-5,9,11-12H2,1H3,(H,28,29,32)/t15-,16-,19+,23-/m0/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548588
PNG
(WO2022093881, Ex-11.1)
Show SMILES C[C@]1(C[C@H]1C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1)c1ccccn1
Show InChI InChI=1S/C28H32ClN5O3/c1-27(23-5-3-4-6-30-23)14-20(27)26(36)32-25-13-18-12-22(21(29)11-19(18)15-31-25)33-7-9-34(10-8-33)28(2)17-37-16-24(28)35/h3-6,11-13,15,20,24,35H,7-10,14,16-17H2,1-2H3,(H,31,32,36)/t20-,24+,27+,28-/m0/s1
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MERCK SHARP & DOHME LLC

WIPO


Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548602
PNG
(WO2022093881, Ex-17.1)
Show SMILES Cn1ncc(n1)C1CC1C(=O)Nc1cc2cc(N3CCN(CC3)[C@]3(C)COC[C@]3(C)O)c(Cl)cc2cn1
Show InChI InChI=1S/C26H32ClN7O3/c1-25(14-37-15-26(25,2)36)34-6-4-33(5-7-34)22-9-16-10-23(28-12-17(16)8-20(22)27)30-24(35)19-11-18(19)21-13-29-32(3)31-21/h8-10,12-13,18-19,36H,4-7,11,14-15H2,1-3H3,(H,28,30,35)/t18?,19?,25-,26+/m1/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548489
PNG
(WO2022093881, Ex-9.19)
Show SMILES Cc1cc2cnc(NC(=O)C3CC3c3ccccn3)cc2cc1N1CCN(CC1)C1(C)COCC1F
Show InChI InChI=1S/C28H32FN5O2/c1-18-11-20-15-31-26(32-27(35)22-14-21(22)23-5-3-4-6-30-23)13-19(20)12-24(18)33-7-9-34(10-8-33)28(2)17-36-16-25(28)29/h3-6,11-13,15,21-22,25H,7-10,14,16-17H2,1-2H3,(H,31,32,35)
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548547
PNG
(WO2022093881, Ex-10.56)
Show SMILES C[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3O)c(Cl)cc2cn1
Show InChI InChI=1S/C27H33ClN6O3/c1-16-24(20-4-5-32(3)31-20)25(16)26(36)30-23-12-17-11-21(19(28)10-18(17)13-29-23)33-6-8-34(9-7-33)27(2)15-37-14-22(27)35/h4-5,10-13,16,22,24-25,35H,6-9,14-15H2,1-3H3,(H,29,30,36)/t16-,22+,24+,25-,27-/m0/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548549
PNG
(WO2022093881, Ex-10.58)
Show SMILES C[C@@H]1[C@@H]([C@H]1c1ccn(C)n1)C(=O)Nc1cc2cc(N3CCN(CC3)[C@@]3(C)COC[C@H]3F)c(C)cc2cn1
Show InChI InChI=1S/C28H35FN6O2/c1-17-11-20-14-30-24(31-27(36)26-18(2)25(26)21-5-6-33(4)32-21)13-19(20)12-22(17)34-7-9-35(10-8-34)28(3)16-37-15-23(28)29/h5-6,11-14,18,23,25-26H,7-10,15-16H2,1-4H3,(H,30,31,36)/t18-,23+,25+,26-,28-/m0/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548551
PNG
(WO2022093881, Ex-10.60)
Show SMILES Cc1cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccn(C)n3)cc2cc1N1CCN(CC1)[C@@]1(C)COC[C@H]1F
Show InChI InChI=1S/C27H33FN6O2/c1-17-10-19-14-29-25(30-26(35)21-13-20(21)22-4-5-32(3)31-22)12-18(19)11-23(17)33-6-8-34(9-7-33)27(2)16-36-15-24(27)28/h4-5,10-12,14,20-21,24H,6-9,13,15-16H2,1-3H3,(H,29,30,35)/t20-,21-,24-,27+/m1/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548559
PNG
(WO2022093881, Ex-10.68)
Show SMILES C[C@@]1(COC[C@H]1F)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC[C@H]3C#N)ncc2cc1Cl
Show InChI InChI=1S/C24H27ClFN5O2/c1-24(14-33-13-21(24)26)31-6-4-30(5-7-31)20-9-16-10-22(28-12-17(16)8-19(20)25)29-23(32)18-3-2-15(18)11-27/h8-10,12,15,18,21H,2-7,13-14H2,1H3,(H,28,29,32)/t15-,18+,21+,24-/m0/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM548592
PNG
(WO2022093881, Ex-11.5)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2cc(NC(=O)[C@@H]3CC[C@H]3c3ccccn3)ncc2cc1Cl
Show InChI InChI=1S/C28H32ClN5O3/c1-28(17-37-16-25(28)35)34-10-8-33(9-11-34)24-13-18-14-26(31-15-19(18)12-22(24)29)32-27(36)21-6-5-20(21)23-4-2-3-7-30-23/h2-4,7,12-15,20-21,25,35H,5-6,8-11,16-17H2,1H3,(H,31,32,36)/t20-,21-,25+,28-/m1/s1
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MERCK SHARP & DOHME LLC

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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, ...


WIPO WO2022093881 (2022)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%