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Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for entry = 614   
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))
BDBM282619
PNG
(US9884828, 2-114)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(nnc2c1)C(N)=O
Show InChI InChI=1S/C18H16N4O2/c1-22(2)18(24)12-5-3-11(4-6-12)13-7-8-14-10-16(17(19)23)21-20-15(14)9-13/h3-10H,1-2H3,(H2,19,23)
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n/an/a 0.5n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282606
PNG
(US9884828, 2-101)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O)C1CC1
Show InChI InChI=1S/C18H20N6O/c1-10(11-3-4-11)21-16-14-6-5-12(13-8-20-24(2)9-13)7-15(14)22-23-17(16)18(19)25/h5-11H,3-4H2,1-2H3,(H2,19,25)(H,21,22)/t10-/m1/s1
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n/an/a 1n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282670
PNG
(US9884828, 9-213)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOC1=O)C(N)=O)C1CC1
Show InChI InChI=1S/C23H23N5O3/c1-13(14-2-3-14)25-20-18-9-6-16(12-19(18)26-27-21(20)22(24)29)15-4-7-17(8-5-15)28-10-11-31-23(28)30/h4-9,12-14H,2-3,10-11H2,1H3,(H2,24,29)(H,25,26)/t13-/m1/s1
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n/an/a 1n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282625
PNG
(US9884828, 2-120)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2CC(=O)Nc2c1)C(N)=O)C1CC1
Show InChI InChI=1S/C22H21N5O2/c1-11(12-2-3-12)24-20-16-7-6-14(9-18(16)26-27-21(20)22(23)29)13-4-5-15-10-19(28)25-17(15)8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1
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n/an/a 1n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282616
PNG
(US9884828, 2-111)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc(c1)S(C)(=O)=O)C(N)=O)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c1-12(13-6-7-13)23-19-17-9-8-15(11-18(17)24-25-20(19)21(22)26)14-4-3-5-16(10-14)29(2,27)28/h3-5,8-13H,6-7H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282626
PNG
(US9884828, 2-121)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc2CC(=O)Nc12)C(N)=O)C1CC1
Show InChI InChI=1S/C22H21N5O2/c1-11(12-5-6-12)24-20-16-8-7-13(9-17(16)26-27-21(20)22(23)29)15-4-2-3-14-10-18(28)25-19(14)15/h2-4,7-9,11-12H,5-6,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1
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n/an/a 2n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428717
PNG
(CHEMBL2333127 | US9884828, 2-37)
Show SMILES CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O |r|
Show InChI InChI=1S/C20H22N4O3S/c1-4-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(21)25)13-5-8-15(9-6-13)28(3,26)27/h5-12H,4H2,1-3H3,(H2,21,25)(H,22,23)/t12-/m1/s1
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n/an/a<6n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428703
PNG
(CHEMBL2333113 | US9884828, 2-100)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1 |r|
Show InChI InChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282607
PNG
(US9884828, 2-102)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccc2cc(nnc2c1)C(N)=O
Show InChI InChI=1S/C18H16N4O2/c1-22(2)18(24)14-5-3-4-11(8-14)12-6-7-13-10-16(17(19)23)21-20-15(13)9-12/h3-10H,1-2H3,(H2,19,23)
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n/an/a<6n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428716
PNG
(CHEMBL2333128 | US9884828, 2-41)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r|
Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282617
PNG
(US9884828, 2-112)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(=O)n(C)c1)C(N)=O)C1CC1
Show InChI InChI=1S/C20H21N5O2/c1-11(12-3-4-12)22-18-15-7-5-13(14-6-8-17(26)25(2)10-14)9-16(15)23-24-19(18)20(21)27/h5-12H,3-4H2,1-2H3,(H2,21,27)(H,22,23)/t11-/m1/s1
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n/an/a<6n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428701
PNG
(CHEMBL2333115 | US9884828, 2-127)
Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O
Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282627
PNG
(US9884828, 2-122)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccn(C)c(=O)c1)C(N)=O)C1CC1
Show InChI InChI=1S/C20H21N5O2/c1-11(12-3-4-12)22-18-15-6-5-13(14-7-8-25(2)17(26)10-14)9-16(15)23-24-19(18)20(21)27/h5-12H,3-4H2,1-2H3,(H2,21,27)(H,22,23)/t11-/m1/s1
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n/an/a 8n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282589
PNG
(US9884828, 2-49)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1)C(N)=O
Show InChI InChI=1S/C22H25N5O2/c1-14(2)24-20-18-8-5-16(13-19(18)25-26-21(20)22(23)28)15-3-6-17(7-4-15)27-9-11-29-12-10-27/h3-8,13-14H,9-12H2,1-2H3,(H2,23,28)(H,24,25)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428700
PNG
(CHEMBL2333116 | US9884828, 2-53)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cn[nH]c1)C(N)=O
Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-4-3-9(10-6-17-18-7-10)5-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282674
PNG
(US9884828, 11-221)
Show SMILES COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1nccn1C
Show InChI InChI=1S/C25H26N6O2/c1-14(15-4-5-15)28-22-19-9-6-16(12-20(19)29-30-23(22)24(26)32)18-8-7-17(13-21(18)33-3)25-27-10-11-31(25)2/h6-15H,4-5H2,1-3H3,(H2,26,32)(H,28,29)/t14-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428698
PNG
(CHEMBL2333118 | US9884828, 2-35)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O
Show InChI InChI=1S/C16H18N6O/c1-9(2)19-14-12-5-4-10(11-7-18-22(3)8-11)6-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20)
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428715
PNG
(CHEMBL2333129 | US9884828, 2-19)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-8-5-12(6-9-15)13-7-10-16-17(11-13)23-24-19(20(21)25)18(16)22-14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,21,25)(H,22,23)
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n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282615
PNG
(US9884828, 2-110)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1)C(N)=O)C1CC1
Show InChI InChI=1S/C20H20N4O/c1-12(13-7-8-13)22-18-16-10-9-15(14-5-3-2-4-6-14)11-17(16)23-24-19(18)20(21)25/h2-6,9-13H,7-8H2,1H3,(H2,21,25)(H,22,23)/t12-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282623
PNG
(US9884828, 2-118)
Show SMILES COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)C(=O)N(C)C
Show InChI InChI=1S/C24H27N5O3/c1-13(14-5-6-14)26-21-18-10-7-15(11-19(18)27-28-22(21)23(25)30)17-9-8-16(12-20(17)32-4)24(31)29(2)3/h7-14H,5-6H2,1-4H3,(H2,25,30)(H,26,27)/t13-/m1/s1
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n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282621
PNG
(US9884828, 2-116)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1=O)C(N)=O)C1CC1
Show InChI InChI=1S/C24H25N5O3/c1-14(15-2-3-15)26-22-19-9-6-17(12-20(19)27-28-23(22)24(25)31)16-4-7-18(8-5-16)29-10-11-32-13-21(29)30/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H2,25,31)(H,26,27)/t14-/m1/s1
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n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282611
PNG
(US9884828, 2-106)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2NC(=O)Cc2c1)C(N)=O)C1CC1
Show InChI InChI=1S/C22H21N5O2/c1-11(12-2-3-12)24-20-16-6-4-14(9-18(16)26-27-21(20)22(23)29)13-5-7-17-15(8-13)10-19(28)25-17/h4-9,11-12H,2-3,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1
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n/an/a 11n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282661
PNG
(US9884828, 5-55)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1c[nH]nn1)C(N)=O
Show InChI InChI=1S/C14H15N7O/c1-7(2)17-12-9-4-3-8(11-6-16-21-19-11)5-10(9)18-20-13(12)14(15)22/h3-7H,1-2H3,(H2,15,22)(H,17,18)(H,16,19,21)
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n/an/a 13n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428704
PNG
(CHEMBL2333112 | US9884828, 2-31)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C17H17N5O/c1-10(2)20-15-13-4-3-12(11-5-7-19-8-6-11)9-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
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n/an/a 14n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428718
PNG
(CHEMBL2333126 | US9884828, 2-17)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22)
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n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282590
PNG
(US9884828, 2-51)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cccc(c1)N1CCOCC1)C(N)=O
Show InChI InChI=1S/C22H25N5O2/c1-14(2)24-20-18-7-6-16(13-19(18)25-26-21(20)22(23)28)15-4-3-5-17(12-15)27-8-10-29-11-9-27/h3-7,12-14H,8-11H2,1-2H3,(H2,23,28)(H,24,25)
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n/an/a 17n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428710
PNG
(CHEMBL2333134 | US9884828, 2-23)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C20H20N4O4S/c1-29(26,27)15-5-2-12(3-6-15)13-4-7-16-17(10-13)23-24-19(20(21)25)18(16)22-14-8-9-28-11-14/h2-7,10,14H,8-9,11H2,1H3,(H2,21,25)(H,22,23)
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n/an/a 17n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428714
PNG
(CHEMBL2333130 | US9884828, 2-92)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NCC3CC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-7-4-13(5-8-15)14-6-9-16-17(10-14)23-24-19(20(21)25)18(16)22-11-12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H2,21,25)(H,22,23)
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n/an/a 17n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282624
PNG
(US9884828, 2-119)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc2NC(=O)Cc12)C(N)=O)C1CC1
Show InChI InChI=1S/C22H21N5O2/c1-11(12-5-6-12)24-20-15-8-7-13(9-18(15)26-27-21(20)22(23)29)14-3-2-4-17-16(14)10-19(28)25-17/h2-4,7-9,11-12H,5-6,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1
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n/an/a 18n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428712
PNG
(CHEMBL2333132 | US9884828, 2-25)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOCC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C21H22N4O4S/c1-30(27,28)16-5-2-13(3-6-16)14-4-7-17-18(12-14)24-25-20(21(22)26)19(17)23-15-8-10-29-11-9-15/h2-7,12,15H,8-11H2,1H3,(H2,22,26)(H,23,24)
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n/an/a 23n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282673
PNG
(US9884828, 11-220)
Show SMILES COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1nccnc1OC
Show InChI InChI=1S/C26H26N6O3/c1-14(15-4-5-15)30-23-19-9-6-16(12-20(19)31-32-24(23)25(27)33)18-8-7-17(13-21(18)34-2)22-26(35-3)29-11-10-28-22/h6-15H,4-5H2,1-3H3,(H2,27,33)(H,30,31)/t14-/m1/s1
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n/an/a 25n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282639
PNG
(US9884828, 2-134)
Show SMILES CCC(CC)Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C19H21N5O/c1-3-14(4-2)22-17-15-6-5-13(12-7-9-21-10-8-12)11-16(15)23-24-18(17)19(20)25/h5-11,14H,3-4H2,1-2H3,(H2,20,25)(H,22,23)
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n/an/a 26n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428702
PNG
(CHEMBL2333114 | US9884828, 2-126)
Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C17H17N5O/c1-10(2)20-15-13-9-12(11-5-7-19-8-6-11)3-4-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282654
PNG
(US9884828, 4-80)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-n1cccn1)C(N)=O
Show InChI InChI=1S/C15H16N6O/c1-9(2)18-13-11-5-4-10(21-7-3-6-17-21)8-12(11)19-20-14(13)15(16)22/h3-9H,1-2H3,(H2,16,22)(H,18,19)
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n/an/a 31n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282658
PNG
(US9884828, 4-190)
Show SMILES COc1ncccc1Nc1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C18H20N6O2/c1-10(2)21-15-12-7-6-11(9-14(12)23-24-16(15)17(19)25)22-13-5-4-8-20-18(13)26-3/h4-10,22H,1-3H3,(H2,19,25)(H,21,23)
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n/an/a 31n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282592
PNG
(US9884828, 2-57)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cccnc1)C(N)=O
Show InChI InChI=1S/C17H17N5O/c1-10(2)20-15-13-6-5-11(12-4-3-7-19-9-12)8-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
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n/an/a 33n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282672
PNG
(US9884828, 11-218)
Show SMILES COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ncccc1F
Show InChI InChI=1S/C26H24FN5O2/c1-14(15-5-6-15)30-24-19-10-7-16(12-21(19)31-32-25(24)26(28)33)18-9-8-17(13-22(18)34-2)23-20(27)4-3-11-29-23/h3-4,7-15H,5-6H2,1-2H3,(H2,28,33)(H,30,31)/t14-/m1/s1
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n/an/a 43n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282596
PNG
(US9884828, 2-91)
Show SMILES CC(C)(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C20H22N4O3S/c1-20(2,3)22-17-15-10-7-13(11-16(15)23-24-18(17)19(21)25)12-5-8-14(9-6-12)28(4,26)27/h5-11H,1-4H3,(H2,21,25)(H,22,23)
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n/an/a 45n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428713
PNG
(CHEMBL2333131 | US9884828, 2-93)
Show SMILES CCNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C18H18N4O3S/c1-3-20-16-14-9-6-12(10-15(14)21-22-17(16)18(19)23)11-4-7-13(8-5-11)26(2,24)25/h4-10H,3H2,1-2H3,(H2,19,23)(H,20,21)
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n/an/a 46n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282602
PNG
(US9884828, 2-97)
Show SMILES COc1cccc(c1)-c1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C19H20N4O2/c1-11(2)21-17-15-8-7-13(12-5-4-6-14(9-12)25-3)10-16(15)22-23-18(17)19(20)24/h4-11H,1-3H3,(H2,20,24)(H,21,22)
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n/an/a 46n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428711
PNG
(CHEMBL2333133 | US9884828, 2-29)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CC3)c(nnc2c1)C(N)=O
Show InChI InChI=1S/C19H18N4O3S/c1-27(25,26)14-7-2-11(3-8-14)12-4-9-15-16(10-12)22-23-18(19(20)24)17(15)21-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H2,20,24)(H,21,22)
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US Patent
n/an/a 47n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282612
PNG
(US9884828, 2-107)
Show SMILES COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)C(=O)N(C)C
Show InChI InChI=1S/C24H27N5O3/c1-13(14-5-6-14)26-21-17-9-7-15(12-19(17)27-28-22(21)23(25)30)18-11-16(24(31)29(2)3)8-10-20(18)32-4/h7-14H,5-6H2,1-4H3,(H2,25,30)(H,26,27)/t13-/m1/s1
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n/an/a 48n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282620
PNG
(US9884828, 2-115)
Show SMILES COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H24N4O4S/c1-12(13-4-5-13)24-20-16-8-6-14(10-18(16)25-26-21(20)22(23)27)17-11-15(31(3,28)29)7-9-19(17)30-2/h6-13H,4-5H2,1-3H3,(H2,23,27)(H,24,25)/t12-/m1/s1
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n/an/a 50n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282618
PNG
(US9884828, 2-113)
Show SMILES NC(=O)c1cc2ccc(cc2nn1)-c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C19H17N3O2/c20-19(23)18-10-15-7-6-14(9-17(15)21-22-18)13-2-1-3-16(8-13)24-11-12-4-5-12/h1-3,6-10,12H,4-5,11H2,(H2,20,23)
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n/an/a 51n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282678
PNG
(US9884828, 13-233)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1ncc[nH]1
Show InChI InChI=1S/C21H21N5O2S/c1-13(2)24-19-17-9-6-15(14-4-7-16(8-5-14)29(3,27)28)12-18(17)25-26-20(19)21-22-10-11-23-21/h4-13H,1-3H3,(H,22,23)(H,24,25)
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n/an/a 51n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428697
PNG
(CHEMBL2333119 | US9884828, 4-188)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)N1CCN(C)CC1)C(N)=O
Show InChI InChI=1S/C17H24N6O/c1-11(2)19-15-13-5-4-12(23-8-6-22(3)7-9-23)10-14(13)20-21-16(15)17(18)24/h4-5,10-11H,6-9H2,1-3H3,(H2,18,24)(H,19,20)
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n/an/a 53n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282665
PNG
(US9884828, 9-206)
Show SMILES COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)N1CCOC1=O
Show InChI InChI=1S/C24H25N5O4/c1-13(14-3-4-14)26-21-17-7-5-15(11-19(17)27-28-22(21)23(25)30)18-12-16(6-8-20(18)32-2)29-9-10-33-24(29)31/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,25,30)(H,26,27)/t13-/m1/s1
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n/an/a 54n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282586
PNG
(US9884828, 2-43)
Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(F)cc1)C(N)=O
Show InChI InChI=1S/C18H17FN4O/c1-10(2)21-16-14-8-5-12(11-3-6-13(19)7-4-11)9-15(14)22-23-17(16)18(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,22)
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n/an/a 55n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282668
PNG
(US9884828, 9-209)
Show SMILES COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)N1CCOCC1=O
Show InChI InChI=1S/C25H27N5O4/c1-14(15-3-4-15)27-23-18-7-5-16(11-20(18)28-29-24(23)25(26)32)19-12-17(6-8-21(19)33-2)30-9-10-34-13-22(30)31/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H2,26,32)(H,27,28)/t14-/m1/s1
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n/an/a 63n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM282595
PNG
(US9884828, 2-90)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CCOCC1
Show InChI InChI=1S/C23H26N4O4S/c1-14(15-9-11-31-12-10-15)25-21-19-8-5-17(13-20(19)26-27-22(21)23(24)28)16-3-6-18(7-4-16)32(2,29)30/h3-8,13-15H,9-12H2,1-2H3,(H2,24,28)(H,25,26)/t14-/m1/s1
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n/an/a 63n/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)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair
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