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USPatent US9040691

Compile data set for download or QSAR
Found 47 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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160276
PNG
(US9040691, 4)
Show SMILES Nc1ncnn2c(CCCCO)cc(-c3ccc(CO)cc3)c12
Show InChI InChI=1S/C17H20N4O2/c18-17-16-15(13-6-4-12(10-23)5-7-13)9-14(3-1-2-8-22)21(16)20-11-19-17/h4-7,9,11,22-23H,1-3,8,10H2,(H2,18,19,20)
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n/an/a 1n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160301
PNG
(US9040691, 29)
Show SMILES COc1cc(cc(F)c1CO)-c1cc([C@H]2CC[C@H](O)CC2)n2ncnc(N)c12 |r,wU:14.14,wD:17.18,(-4.5,3.38,;-3.41,4.47,;-1.92,4.08,;-1.52,2.59,;-.03,2.19,;1.06,3.28,;.66,4.77,;1.75,5.85,;-.83,5.16,;-1.23,6.65,;-.14,7.74,;.36,.7,;-.54,-.54,;.36,-1.79,;-.03,-3.28,;1.06,-4.37,;.66,-5.85,;-.83,-6.25,;-1.23,-7.74,;-1.92,-5.16,;-1.52,-3.68,;1.83,-1.31,;3.16,-2.08,;4.5,-1.31,;4.5,.23,;3.16,1,;3.16,2.54,;1.83,.23,)|
Show InChI InChI=1S/C20H23FN4O3/c1-28-18-7-12(6-16(21)15(18)9-26)14-8-17(11-2-4-13(27)5-3-11)25-19(14)20(22)23-10-24-25/h6-8,10-11,13,26-27H,2-5,9H2,1H3,(H2,22,23,24)/t11-,13-
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n/an/a 1n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160312
PNG
(US9040691, 40 | US9040691, 41 | US9040691, 42)
Show SMILES COc1cc(ccc1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O3/c1-25-15-6-11(4-5-12(15)8-23)13-7-14(17(24)10-2-3-10)22-16(13)18(19)20-9-21-22/h4-7,9-10,17,23-24H,2-3,8H2,1H3,(H2,19,20,21)
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n/an/a 1.20n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160277
PNG
(US9040691, 5)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C(O)C1CC1
Show InChI InChI=1S/C17H16F2N4O2/c18-12-3-9(4-13(19)11(12)6-24)10-5-14(16(25)8-1-2-8)23-15(10)17(20)21-7-22-23/h3-5,7-8,16,24-25H,1-2,6H2,(H2,20,21,22)
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n/an/a 1.30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160283
PNG
(US9040691, 11)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H19F2N5O/c19-14-4-11(5-15(20)13(14)8-26)12-6-16(10-2-1-3-22-7-10)25-17(12)18(21)23-9-24-25/h4-6,9-10,22,26H,1-3,7-8H2,(H2,21,23,24)/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160315
PNG
(US9040691, 43)
Show SMILES CC(C)c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C16H16F2N4O/c1-8(2)14-5-10(15-16(19)20-7-21-22(14)15)9-3-12(17)11(6-23)13(18)4-9/h3-5,7-8,23H,6H2,1-2H3,(H2,19,20,21)
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n/an/a 1.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160302
PNG
(US9040691, 30)
Show SMILES COc1cc(cc(F)c1CO)-c1cc(C2CCCNC2)n2ncnc(N)c12
Show InChI InChI=1S/C19H22FN5O2/c1-27-17-6-12(5-15(20)14(17)9-26)13-7-16(11-3-2-4-22-8-11)25-18(13)19(21)23-10-24-25/h5-7,10-11,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160273
PNG
(US9040691, 1)
Show SMILES CCCc1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C16H18N4O/c1-2-3-13-8-14(12-6-4-11(9-21)5-7-12)15-16(17)18-10-19-20(13)15/h4-8,10,21H,2-3,9H2,1H3,(H2,17,18,19)
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160289
PNG
(US9040691, 17)
Show SMILES Nc1nc(cs1)-c1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C16H14N6OS/c17-15-14-11(10-3-1-9(6-23)2-4-10)5-13(22(14)20-8-19-15)12-7-24-16(18)21-12/h1-5,7-8,23H,6H2,(H2,18,21)(H2,17,19,20)
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160279
PNG
(US9040691, 7)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:20.22,wD:23.26,(2.62,2.54,;2.62,1,;3.95,.23,;3.95,-1.31,;2.62,-2.08,;1.28,-1.31,;-.18,-1.79,;-1.09,-.54,;-.18,.7,;-.58,2.19,;-2.07,2.59,;-2.46,4.08,;-3.95,4.47,;-1.38,5.16,;-1.77,6.65,;-.69,7.74,;.11,4.77,;1.2,5.85,;.51,3.28,;1.28,.23,;-.58,-3.28,;.51,-4.37,;.11,-5.85,;-1.38,-6.25,;-1.77,-7.74,;-2.46,-5.16,;-2.07,-3.68,)|
Show InChI InChI=1S/C19H20F2N4O2/c20-15-5-11(6-16(21)14(15)8-26)13-7-17(10-1-3-12(27)4-2-10)25-18(13)19(22)23-9-24-25/h5-7,9-10,12,26-27H,1-4,8H2,(H2,22,23,24)/t10-,12-
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160288
PNG
(US9040691, 16)
Show SMILES CCc1nc(cs1)-c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C18H15F2N5OS/c1-2-16-24-14(7-27-16)15-5-10(17-18(21)22-8-23-25(15)17)9-3-12(19)11(6-26)13(20)4-9/h3-5,7-8,26H,2,6H2,1H3,(H2,21,22,23)
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n/an/a 2.60n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160274
PNG
(US9040691, 2)
Show SMILES CCCc1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C16H16F2N4O/c1-2-3-10-6-11(15-16(19)20-8-21-22(10)15)9-4-13(17)12(7-23)14(18)5-9/h4-6,8,23H,2-3,7H2,1H3,(H2,19,20,21)
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n/an/a 2.80n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160283
PNG
(US9040691, 11)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H19F2N5O/c19-14-4-11(5-15(20)13(14)8-26)12-6-16(10-2-1-3-22-7-10)25-17(12)18(21)23-9-24-25/h4-6,9-10,22,26H,1-3,7-8H2,(H2,21,23,24)/t10-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160309
PNG
(US9040691, 37)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc(C2CCNC2)n2ncnc(N)c12
Show InChI InChI=1S/C19H22FN5O/c1-2-11-5-13(6-16(20)15(11)9-26)14-7-17(12-3-4-22-8-12)25-18(14)19(21)23-10-24-25/h5-7,10,12,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
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n/an/a<3n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160312
PNG
(US9040691, 40 | US9040691, 41 | US9040691, 42)
Show SMILES COc1cc(ccc1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O3/c1-25-15-6-11(4-5-12(15)8-23)13-7-14(17(24)10-2-3-10)22-16(13)18(19)20-9-21-22/h4-7,9-10,17,23-24H,2-3,8H2,1H3,(H2,19,20,21)
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n/an/a 3.20n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160312
PNG
(US9040691, 40 | US9040691, 41 | US9040691, 42)
Show SMILES COc1cc(ccc1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O3/c1-25-15-6-11(4-5-12(15)8-23)13-7-14(17(24)10-2-3-10)22-16(13)18(19)20-9-21-22/h4-7,9-10,17,23-24H,2-3,8H2,1H3,(H2,19,20,21)
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n/an/a 3.5n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160316
PNG
(US9040691, 44)
Show SMILES CC(O)c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C15H14F2N4O2/c1-7(23)13-4-9(14-15(18)19-6-20-21(13)14)8-2-11(16)10(5-22)12(17)3-8/h2-4,6-7,22-23H,5H2,1H3,(H2,18,19,20)
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n/an/a 3.80n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160275
PNG
(US9040691, 3)
Show SMILES Nc1ncnn2c(CCCO)cc(-c3ccc(CO)cc3)c12
Show InChI InChI=1S/C16H18N4O2/c17-16-15-14(12-5-3-11(9-22)4-6-12)8-13(2-1-7-21)20(15)19-10-18-16/h3-6,8,10,21-22H,1-2,7,9H2,(H2,17,18,19)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160304
PNG
(US9040691, 32)
Show SMILES Cc1cc(cc(F)c1CO)-c1cc(C2CCNC2)n2ncnc(N)c12
Show InChI InChI=1S/C18H20FN5O/c1-10-4-12(5-15(19)14(10)8-25)13-6-16(11-2-3-21-7-11)24-17(13)18(20)22-9-23-24/h4-6,9,11,21,25H,2-3,7-8H2,1H3,(H2,20,22,23)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160285
PNG
(US9040691, 13)
Show SMILES Cc1nc(cs1)-c1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C17H15N5OS/c1-10-21-14(8-24-10)15-6-13(12-4-2-11(7-23)3-5-12)16-17(18)19-9-20-22(15)16/h2-6,8-9,23H,7H2,1H3,(H2,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160303
PNG
(US9040691, 31)
Show SMILES Cc1cc(cc(F)c1CO)-c1cc(C2CCCNC2)n2ncnc(N)c12
Show InChI InChI=1S/C19H22FN5O/c1-11-5-13(6-16(20)15(11)9-26)14-7-17(12-3-2-4-22-8-12)25-18(14)19(21)23-10-24-25/h5-7,10,12,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160310
PNG
(US9040691, 38)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc(C2CCCNC2)n2ncnc(N)c12
Show InChI InChI=1S/C20H24FN5O/c1-2-12-6-14(7-17(21)16(12)10-27)15-8-18(13-4-3-5-23-9-13)26-19(15)20(22)24-11-25-26/h6-8,11,13,23,27H,2-5,9-10H2,1H3,(H2,22,24,25)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160306
PNG
(US9040691, 34)
Show SMILES NCc1nc(cs1)-c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C17H14F2N6OS/c18-11-1-8(2-12(19)10(11)5-26)9-3-14(13-6-27-15(4-20)24-13)25-16(9)17(21)22-7-23-25/h1-3,6-7,26H,4-5,20H2,(H2,21,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
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n/an/a 4.40n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160286
PNG
(US9040691, 14)
Show SMILES Cc1nc(cs1)-c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C17H13F2N5OS/c1-8-23-14(6-26-8)15-4-10(16-17(20)21-7-22-24(15)16)9-2-12(18)11(5-25)13(19)3-9/h2-4,6-7,25H,5H2,1H3,(H2,20,21,22)
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n/an/a 5.30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160281
PNG
(US9040691, 9)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1(O)CCCNC1
Show InChI InChI=1S/C18H19F2N5O2/c19-13-4-10(5-14(20)12(13)7-26)11-6-15(18(27)2-1-3-22-8-18)25-16(11)17(21)23-9-24-25/h4-6,9,22,26-27H,1-3,7-8H2,(H2,21,23,24)
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n/an/a 5.70n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160311
PNG
(US9040691, 39)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1S/C19H21FN4O2/c1-2-10-5-12(6-15(20)14(10)8-25)13-7-16(18(26)11-3-4-11)24-17(13)19(21)22-9-23-24/h5-7,9,11,18,25-26H,2-4,8H2,1H3,(H2,21,22,23)
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n/an/a 5.70n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160284
PNG
(US9040691, 12)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H19F2N5O/c19-14-4-11(5-15(20)13(14)8-26)12-6-16(10-2-1-3-22-7-10)25-17(12)18(21)23-9-24-25/h4-6,9-10,22,26H,1-3,7-8H2,(H2,21,23,24)/t10-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160279
PNG
(US9040691, 7)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:20.22,wD:23.26,(2.62,2.54,;2.62,1,;3.95,.23,;3.95,-1.31,;2.62,-2.08,;1.28,-1.31,;-.18,-1.79,;-1.09,-.54,;-.18,.7,;-.58,2.19,;-2.07,2.59,;-2.46,4.08,;-3.95,4.47,;-1.38,5.16,;-1.77,6.65,;-.69,7.74,;.11,4.77,;1.2,5.85,;.51,3.28,;1.28,.23,;-.58,-3.28,;.51,-4.37,;.11,-5.85,;-1.38,-6.25,;-1.77,-7.74,;-2.46,-5.16,;-2.07,-3.68,)|
Show InChI InChI=1S/C19H20F2N4O2/c20-15-5-11(6-16(21)14(15)8-26)13-7-17(10-1-3-12(27)4-2-10)25-18(13)19(22)23-9-24-25/h5-7,9-10,12,26-27H,1-4,8H2,(H2,22,23,24)/t10-,12-
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n/an/a 6.70n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
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n/an/a 6.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160282
PNG
(US9040691, 10)
Show SMILES Nc1ncnn2c(cc(-c3ccc(CO)cc3)c12)C1CCNCC1
Show InChI InChI=1S/C18H21N5O/c19-18-17-15(13-3-1-12(10-24)2-4-13)9-16(23(17)22-11-21-18)14-5-7-20-8-6-14/h1-4,9,11,14,20,24H,5-8,10H2,(H2,19,21,22)
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n/an/a 8n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160305
PNG
(US9040691, 33)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1(O)CCCCC1
Show InChI InChI=1S/C19H20F2N4O2/c20-14-6-11(7-15(21)13(14)9-26)12-8-16(19(27)4-2-1-3-5-19)25-17(12)18(22)23-10-24-25/h6-8,10,26-27H,1-5,9H2,(H2,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160294
PNG
(US9040691, 22)
Show SMILES Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)c(Cl)c3)c12
Show InChI InChI=1S/C18H20ClN5O2/c19-16-7-12(1-2-13(16)10-25)15-8-14(9-23-3-5-26-6-4-23)24-17(15)18(20)21-11-22-24/h1-2,7-8,11,25H,3-6,9-10H2,(H2,20,21,22)
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n/an/a 17n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160291
PNG
(US9040691, 19)
Show SMILES Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12
Show InChI InChI=1S/C18H21N5O2/c19-18-17-16(14-3-1-13(11-24)2-4-14)9-15(23(17)21-12-20-18)10-22-5-7-25-8-6-22/h1-4,9,12,24H,5-8,10-11H2,(H2,19,20,21)
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n/an/a 19n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
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n/an/a 21n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM51425
PNG
(US9040691, 21)
Show SMILES Nc1ncnn2c(cc(-c3ccc(CO)c(F)c3)c12)N1CCOCC1
Show InChI InChI=1S/C17H18FN5O2/c18-14-7-11(1-2-12(14)9-24)13-8-15(22-3-5-25-6-4-22)23-16(13)17(19)20-10-21-23/h1-2,7-8,10,24H,3-6,9H2,(H2,19,20,21)
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n/an/a 25n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160298
PNG
(US9040691, 26)
Show SMILES Nc1ncnn2c(CN3CCC(O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12
Show InChI InChI=1S/C18H19F2N5O2/c19-15-3-10(4-16(20)14(15)8-26)13-5-11(6-24-2-1-12(27)7-24)25-17(13)18(21)22-9-23-25/h3-5,9,12,26-27H,1-2,6-8H2,(H2,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160295
PNG
(US9040691, 23)
Show SMILES Cc1cc(ccc1CO)-c1cc(CN2CCOCC2)n2ncnc(N)c12
Show InChI InChI=1S/C19H23N5O2/c1-13-8-14(2-3-15(13)11-25)17-9-16(10-23-4-6-26-7-5-23)24-18(17)19(20)21-12-22-24/h2-3,8-9,12,25H,4-7,10-11H2,1H3,(H2,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160292
PNG
(US9040691, 20)
Show SMILES Nc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12
Show InChI InChI=1S/C18H19F2N5O2/c19-15-5-11(6-16(20)14(15)9-26)13-7-12(8-24-1-3-27-4-2-24)25-17(13)18(21)22-10-23-25/h5-7,10,26H,1-4,8-9H2,(H2,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160278
PNG
(US9040691, 6)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C(O)C1CCOCC1
Show InChI InChI=1S/C19H20F2N4O3/c20-14-5-11(6-15(21)13(14)8-26)12-7-16(18(27)10-1-3-28-4-2-10)25-17(12)19(22)23-9-24-25/h5-7,9-10,18,26-27H,1-4,8H2,(H2,22,23,24)
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n/an/a 40n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160287
PNG
(US9040691, 15)
Show SMILES CCc1nc(cs1)-c1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C18H17N5OS/c1-2-16-22-14(9-25-16)15-7-13(12-5-3-11(8-24)4-6-12)17-18(19)20-10-21-23(15)17/h3-7,9-10,24H,2,8H2,1H3,(H2,19,20,21)
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n/an/a 60n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160297
PNG
(US9040691, 25)
Show SMILES Nc1ncnn2c(CN3CCC(O)CC3)cc(-c3cc(F)c(CO)c(F)c3)c12
Show InChI InChI=1S/C19H21F2N5O2/c20-16-5-11(6-17(21)15(16)9-27)14-7-12(8-25-3-1-13(28)2-4-25)26-18(14)19(22)23-10-24-26/h5-7,10,13,27-28H,1-4,8-9H2,(H2,22,23,24)
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n/an/a 65n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160299
PNG
(US9040691, 27)
Show SMILES Nc1ncnn2c(CN3CCCC(O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12
Show InChI InChI=1S/C19H21F2N5O2/c20-16-4-11(5-17(21)15(16)9-27)14-6-12(7-25-3-1-2-13(28)8-25)26-18(14)19(22)23-10-24-26/h4-6,10,13,27-28H,1-3,7-9H2,(H2,22,23,24)
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n/an/a 70n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160290
PNG
(US9040691, 18)
Show SMILES Nc1ncnn2c(CN3CCNCC3)cc(-c3ccc(CO)cc3)c12
Show InChI InChI=1S/C18H22N6O/c19-18-17-16(14-3-1-13(11-25)2-4-14)9-15(24(17)22-12-21-18)10-23-7-5-20-6-8-23/h1-4,9,12,20,25H,5-8,10-11H2,(H2,19,21,22)
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n/an/a 80n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160300
PNG
(US9040691, 28)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc([C@H]2CC[C@H](O)CC2)n2ncnc(N)c12 |r,wU:14.14,wD:17.18,(-4.15,5.96,;-3.75,4.47,;-2.27,4.08,;-1.87,2.59,;-.38,2.19,;.71,3.28,;.31,4.77,;1.4,5.85,;-1.18,5.16,;-1.57,6.65,;-.49,7.74,;.02,.7,;-.89,-.54,;.02,-1.79,;-.38,-3.28,;.71,-4.37,;.31,-5.85,;-1.18,-6.25,;-1.57,-7.74,;-2.27,-5.16,;-1.87,-3.68,;1.48,-1.31,;2.82,-2.08,;4.15,-1.31,;4.15,.23,;2.82,1,;2.82,2.54,;1.48,.23,)|
Show InChI InChI=1S/C21H25FN4O2/c1-2-12-7-14(8-18(22)17(12)10-27)16-9-19(13-3-5-15(28)6-4-13)26-20(16)21(23)24-11-25-26/h7-9,11,13,15,27-28H,2-6,10H2,1H3,(H2,23,24,25)/t13-,15-
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n/an/a 124n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160296
PNG
(US9040691, 24)
Show SMILES Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)nc3)c12
Show InChI InChI=1S/C17H20N6O2/c18-17-16-15(12-1-2-13(10-24)19-8-12)7-14(23(16)21-11-20-17)9-22-3-5-25-6-4-22/h1-2,7-8,11,24H,3-6,9-10H2,(H2,18,20,21)
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n/an/a 140n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))		BDBM160300
PNG
(US9040691, 28)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc([C@H]2CC[C@H](O)CC2)n2ncnc(N)c12 |r,wU:14.14,wD:17.18,(-4.15,5.96,;-3.75,4.47,;-2.27,4.08,;-1.87,2.59,;-.38,2.19,;.71,3.28,;.31,4.77,;1.4,5.85,;-1.18,5.16,;-1.57,6.65,;-.49,7.74,;.02,.7,;-.89,-.54,;.02,-1.79,;-.38,-3.28,;.71,-4.37,;.31,-5.85,;-1.18,-6.25,;-1.57,-7.74,;-2.27,-5.16,;-1.87,-3.68,;1.48,-1.31,;2.82,-2.08,;4.15,-1.31,;4.15,.23,;2.82,1,;2.82,2.54,;1.48,.23,)|
Show InChI InChI=1S/C21H25FN4O2/c1-2-12-7-14(8-18(22)17(12)10-27)16-9-19(13-3-5-15(28)6-4-13)26-20(16)21(23)24-11-25-26/h7-9,11,13,15,27-28H,2-6,10H2,1H3,(H2,23,24,25)/t13-,15-
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n/an/a 170n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...

US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%