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Compile Data Set for Download or QSAR

Found 42 hits from Array BioPharma, Inc.; Genentech, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120116
PNG
(US8697715, 209 | US9259470, 209)
Show SMILES Cn1cc(cn1)C(c1ccc(Cl)c(Cl)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1F
Show InChI InChI=1S/C25H23Cl2FN6O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32)
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n/an/a 0.800n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120117
PNG
(US8697715, 250 | US9259470, 250)
Show SMILES Clc1ccc2cc(Cn3ccc(cc3=O)-c3ccnc(NC4CCOCC4)n3)[nH]c2c1
Show InChI InChI=1S/C23H22ClN5O2/c24-17-2-1-15-11-19(26-21(15)13-17)14-29-8-4-16(12-22(29)30)20-3-7-25-23(28-20)27-18-5-9-31-10-6-18/h1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28)
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n/an/a 1.60n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120119
PNG
(US8697715, 270 | US9259470, 270)
Show SMILES COC(=O)c1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1
Show InChI InChI=1S/C24H19ClFN5O4/c1-35-23(34)20-12-16(4-7-27-20)29-24-28-8-5-19(30-24)14-6-9-31(22(33)11-14)21(13-32)15-2-3-17(25)18(26)10-15/h2-12,21,32H,13H2,1H3,(H,27,28,29,30)/t21-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120118
PNG
(US8697715, 266 | US9259470, 266)
Show SMILES Fc1cccc2[nH]c(Cn3ccc(cc3=O)-c3ccnc(NC4CCOCC4)n3)cc12
Show InChI InChI=1S/C23H22FN5O2/c24-19-2-1-3-21-18(19)13-17(26-21)14-29-9-5-15(12-22(29)30)20-4-8-25-23(28-20)27-16-6-10-31-11-7-16/h1-5,8-9,12-13,16,26H,6-7,10-11,14H2,(H,25,27,28)
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n/an/a 2.40n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120127
PNG
(US8697715, Beta | US9259470, Beta)
Show SMILES OP(O)(=O)OCOC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C23H25ClFN4O7P/c24-18-2-1-16(11-19(18)25)21(13-35-14-36-37(31,32)33)29-8-4-15(12-22(29)30)20-3-7-26-23(28-20)27-17-5-9-34-10-6-17/h1-4,7-8,11-12,17,21H,5-6,9-10,13-14H2,(H,26,27,28)(H2,31,32,33)/t21-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120113
PNG
(US8697715, 172 | US9259470, 172)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn(C(=C)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1
Show InChI InChI=1S/C23H17ClFN5O/c1-14-11-18(5-8-26-14)28-23-27-9-6-21(29-23)17-7-10-30(22(31)13-17)15(2)16-3-4-19(24)20(25)12-16/h3-13H,2H2,1H3,(H,26,27,28,29)
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n/an/a 2.90n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120111
PNG
(US8697715, 166 | US9259470, 166)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccn(C(CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-19(11-29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)10-14)20(12-31)15-3-4-16(23)17(24)9-15/h3-11,20,31H,12H2,1-2H3,(H,25,26,27)
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n/an/a 2.90n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120103
PNG
(US8697715, 87 | US9259470, 87)
Show SMILES Cc1cccc(c1)C(CO)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C23H26N4O3/c1-16-3-2-4-18(13-16)21(15-28)27-10-6-17(14-22(27)29)20-5-9-24-23(26-20)25-19-7-11-30-12-8-19/h2-6,9-10,13-14,19,21,28H,7-8,11-12,15H2,1H3,(H,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120094
PNG
(US8697715, 21 | US9259470, 21)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(c(F)c1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-16-2-1-13(11-17(16)24)19(12-30)29-8-4-15(20(25)21(29)31)18-3-7-26-22(28-18)27-14-5-9-32-10-6-14/h1-4,7-8,11,14,19,30H,5-6,9-10,12H2,(H,26,27,28)/t19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120112
PNG
(US8697715, 167)
Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n(C)n1
Show InChI InChI=1S/C22H20ClFN6O2/c1-13-9-20(29(2)28-13)27-22-25-7-5-18(26-22)14-6-8-30(21(32)11-14)19(12-31)15-3-4-16(23)17(24)10-15/h3-11,19,31H,12H2,1-2H3,(H,25,26,27)/t19-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120087
PNG
(US8697715, 2 | US9259470, 2)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@H]2CCOC[C@H]2F)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-15-2-1-14(9-16(15)24)20(11-30)29-7-4-13(10-21(29)31)18-3-6-26-22(27-18)28-19-5-8-32-12-17(19)25/h1-4,6-7,9-10,17,19-20,30H,5,8,11-12H2,(H,26,27,28)/t17-,19+,20-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120095
PNG
(US8697715, 39 | US9259470, 39)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120102
PNG
(US8697715, 68 | US9259470, 68)
Show SMILES Cc1cc(cc(=O)n1[C@H](CO)c1ccc(Cl)c(F)c1)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C23H24ClFN4O3/c1-14-10-16(20-4-7-26-23(28-20)27-17-5-8-32-9-6-17)12-22(31)29(14)21(13-30)15-2-3-18(24)19(25)11-15/h2-4,7,10-12,17,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28)/t21-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120089
PNG
(US8697715, 4 | US9259470, 4)
Show SMILES OC[C@H](c1ccc(Cl)c(Cl)c1)n1ccc(cc1=O)-c1ccnc(N[C@H]2CCOC[C@H]2F)n1
Show InChI InChI=1S/C22H21Cl2FN4O3/c23-15-2-1-14(9-16(15)24)20(11-30)29-7-4-13(10-21(29)31)18-3-6-26-22(27-18)28-19-5-8-32-12-17(19)25/h1-4,6-7,9-10,17,19-20,30H,5,8,11-12H2,(H,26,27,28)/t17-,19+,20-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120107
PNG
(US8697715, 120 | US9259470, 120)
Show SMILES OCC(c1cc(F)cc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27)
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n/an/a 3.80n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120086
PNG
(US8697715, 1 | US9259470, 1)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120115
PNG
(US8697715, 185 | US9259470, 185)
Show SMILES Cc1nc[nH]c1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-20(26-11-25-12)28-21-24-6-4-17(27-21)13-5-7-29(19(31)9-13)18(10-30)14-2-3-15(22)16(23)8-14/h2-9,11,18,30H,10H2,1H3,(H,25,26)(H,24,27,28)/t18-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120125
PNG
(US8697715, 305 | US9259470, 305)
Show SMILES NC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H23ClFN5O2/c23-17-2-1-15(11-18(17)24)20(13-25)29-8-4-14(12-21(29)30)19-3-7-26-22(28-19)27-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20H,5-6,9-10,13,25H2,(H,26,27,28)/t20-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120088
PNG
(US8697715, 3 | US9259470, 3)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@@H]2CCOC[C@H]2F)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-15-2-1-14(9-16(15)24)20(11-30)29-7-4-13(10-21(29)31)18-3-6-26-22(27-18)28-19-5-8-32-12-17(19)25/h1-4,6-7,9-10,17,19-20,30H,5,8,11-12H2,(H,26,27,28)/t17-,19-,20-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120108
PNG
(US8697715, 134 | US9259470, 134)
Show SMILES CC[C@@H](CO)Nc1nccc(n1)-c1ccn(C(C)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H22ClFN4O2/c1-3-16(12-28)25-21-24-8-6-19(26-21)15-7-9-27(20(29)11-15)13(2)14-4-5-17(22)18(23)10-14/h4-11,13,16,28H,3,12H2,1-2H3,(H,24,25,26)/t13?,16-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120114
PNG
(US8697715, 173 | US9259470, 173)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)c(C)n1
Show InChI InChI=1S/C23H22ClFN6O2/c1-3-30-12-20(14(2)29-30)28-23-26-8-6-19(27-23)15-7-9-31(22(33)11-15)21(13-32)16-4-5-17(24)18(25)10-16/h4-12,21,32H,3,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120096
PNG
(US8697715, 42 | US9259470, 42)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@@H]2C[C@@H]3C[C@H]2CO3)n1
Show InChI InChI=1S/C23H22ClFN4O3/c24-17-2-1-14(8-18(17)25)21(11-30)29-6-4-13(9-22(29)31)19-3-5-26-23(27-19)28-20-10-16-7-15(20)12-32-16/h1-6,8-9,15-16,20-21,30H,7,10-12H2,(H,26,27,28)/t15-,16-,20+,21+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120101
PNG
(US8697715, 65 | US9259470, 65)
Show SMILES COC[C@@H](CO)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H22ClFN4O4/c1-31-12-15(10-28)25-21-24-6-4-18(26-21)13-5-7-27(20(30)9-13)19(11-29)14-2-3-16(22)17(23)8-14/h2-9,15,19,28-29H,10-12H2,1H3,(H,24,25,26)/t15-,19-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120120
PNG
(US8697715, 289 | US9259470, 289)
Show SMILES Fc1cc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc2[nH]ccc12
Show InChI InChI=1S/C23H22FN5O2/c24-19-11-15(12-21-18(19)1-6-25-21)14-29-8-3-16(13-22(29)30)20-2-7-26-23(28-20)27-17-4-9-31-10-5-17/h1-3,6-8,11-13,17,25H,4-5,9-10,14H2,(H,26,27,28)
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n/an/a 8.5n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120110
PNG
(US8697715, 157 | US9259470, 157)
Show SMILES FC(F)(F)Oc1ccc(CCn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1
Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)33-19-3-1-16(2-4-19)6-11-30-12-7-17(15-21(30)31)20-5-10-27-22(29-20)28-18-8-13-32-14-9-18/h1-5,7,10,12,15,18H,6,8-9,11,13-14H2,(H,27,28,29)
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n/an/a 8.70n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120123
PNG
(US8697715, 293 | US9259470, 293)
Show SMILES CC(=O)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(Nc2ccnn2C)n1
Show InChI InChI=1S/C23H20ClFN6O3/c1-14(32)34-13-20(16-3-4-17(24)18(25)11-16)31-10-7-15(12-22(31)33)19-5-8-26-23(28-19)29-21-6-9-27-30(21)2/h3-12,20H,13H2,1-2H3,(H,26,28,29)/t20-/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120105
PNG
(US8697715, 103 | US9259470, 103)
Show SMILES OC[C@H](c1cc(F)cc(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22F2N4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27)/t20-/m1/s1
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n/an/a 10.4n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120097
PNG
(US8697715, 50 | US9259470, 50)
Show SMILES COc1ccc(cc1F)[C@@H]([C@H]1CCCN1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C26H30FN5O3/c1-34-23-5-4-18(15-20(23)27)25(22-3-2-10-28-22)32-12-7-17(16-24(32)33)21-6-11-29-26(31-21)30-19-8-13-35-14-9-19/h4-7,11-12,15-16,19,22,25,28H,2-3,8-10,13-14H2,1H3,(H,29,30,31)/t22-,25+/m1/s1
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n/an/a 11.5n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120122
PNG
(US8697715, 291 | US9259470, 291)
Show SMILES OC[C@H](c1cc2cc(F)ccc2[nH]1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C24H24FN5O3/c25-17-1-2-19-16(11-17)12-21(28-19)22(14-31)30-8-4-15(13-23(30)32)20-3-7-26-24(29-20)27-18-5-9-33-10-6-18/h1-4,7-8,11-13,18,22,28,31H,5-6,9-10,14H2,(H,26,27,29)/t22-/m1/s1
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n/an/a 12.1n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120090
PNG
(US8697715, 11 | US9259470, 11)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ncc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C21H21ClFN5O3/c22-16-2-1-13(9-17(16)23)19(12-29)28-20(30)10-14(11-25-28)18-3-6-24-21(27-18)26-15-4-7-31-8-5-15/h1-3,6,9-11,15,19,29H,4-5,7-8,12H2,(H,24,26,27)/t19-/m1/s1
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n/an/a 13.6n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120109
PNG
(US8697715, 139 | US9259470, 139)
Show SMILES CCc1nccc(Nc2nccc(n2)-c2ccn(C(CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1
Show InChI InChI=1S/C23H20ClFN6O2/c1-2-20-26-9-6-21(29-20)30-23-27-8-5-18(28-23)14-7-10-31(22(33)12-14)19(13-32)15-3-4-16(24)17(25)11-15/h3-12,19,32H,2,13H2,1H3,(H,26,27,28,29,30)
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n/an/a 13.7n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120099
PNG
(US8697715, 58 | US9259470, 58)
Show SMILES C[C@@H](CO)Nc1nccc(n1)-c1ccn(C(CO)c2cccc(Cl)c2)c(=O)c1
Show InChI InChI=1S/C20H21ClN4O3/c1-13(11-26)23-20-22-7-5-17(24-20)14-6-8-25(19(28)10-14)18(12-27)15-3-2-4-16(21)9-15/h2-10,13,18,26-27H,11-12H2,1H3,(H,22,23,24)/t13-,18?/m0/s1
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n/an/a 13.9n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120124
PNG
(US8697715, 295 | US9259470, 295)
Show SMILES CCn1nccc1Nc1nccc(n1)-c1ccn(C(=C)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C22H18ClFN6O/c1-3-30-20(7-10-26-30)28-22-25-9-6-19(27-22)16-8-11-29(21(31)13-16)14(2)15-4-5-17(23)18(24)12-15/h4-13H,2-3H2,1H3,(H,25,27,28)
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n/an/a 14.5n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120092
PNG
(US8697715, 14 | US9259470, 14)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)
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n/an/a 15.6n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120121
PNG
(US8697715, 290 | US9259470, 290)
Show SMILES CC(C)(N)C(=O)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C26H29ClFN5O4/c1-26(2,29)24(35)37-15-22(17-3-4-19(27)20(28)13-17)33-10-6-16(14-23(33)34)21-5-9-30-25(32-21)31-18-7-11-36-12-8-18/h3-6,9-10,13-14,18,22H,7-8,11-12,15,29H2,1-2H3,(H,30,31,32)/t22-/m1/s1
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n/an/a 15.8n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120106
PNG
(US8697715, 109 | US9259470, 109)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1cc(NC2CCOCC2)ncn1
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(9-18(17)24)20(12-29)28-6-3-14(10-22(28)30)19-11-21(26-13-25-19)27-16-4-7-31-8-5-16/h1-3,6,9-11,13,16,20,29H,4-5,7-8,12H2,(H,25,26,27)/t20-/m1/s1
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n/an/a 15.9n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120098
PNG
(US8697715, 57 | US9259470, 57)
Show SMILES OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1
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n/an/a 35.7n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120104
PNG
(US8697715, 102 | US9259470, 102)
Show SMILES Fc1cc(ccc1Cl)C([C@@H]1CCCN1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C25H27ClFN5O2/c26-19-4-3-17(14-20(19)27)24(22-2-1-9-28-22)32-11-6-16(15-23(32)33)21-5-10-29-25(31-21)30-18-7-12-34-13-8-18/h3-6,10-11,14-15,18,22,24,28H,1-2,7-9,12-13H2,(H,29,30,31)/t22-,24?/m0/s1
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n/an/a 39.5n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120091
PNG
(US8697715, 12 | US9259470, 12)
Show SMILES Cc1cnc(NC2CCOCC2)nc1-c1ccn(C(CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C23H24ClFN4O3/c1-14-12-26-23(27-17-5-8-32-9-6-17)28-22(14)16-4-7-29(21(31)11-16)20(13-30)15-2-3-18(24)19(25)10-15/h2-4,7,10-12,17,20,30H,5-6,8-9,13H2,1H3,(H,26,27,28)
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n/an/a 51.8n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120100
PNG
(US8697715, 60 | US9259470, 60)
Show SMILES C[C@@H](CO)Nc1nccc(n1)-c1ccn(C(CO)c2ccc(F)c(Cl)c2)c(=O)c1
Show InChI InChI=1S/C20H20ClFN4O3/c1-12(10-27)24-20-23-6-4-17(25-20)13-5-7-26(19(29)9-13)18(11-28)14-2-3-16(22)15(21)8-14/h2-9,12,18,27-28H,10-11H2,1H3,(H,23,24,25)/t12-,18?/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120093
PNG
(US8697715, 20 | US9259470, 20)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1cc(F)c(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-16-2-1-13(9-17(16)24)20(12-30)29-11-18(25)15(10-21(29)31)19-3-6-26-22(28-19)27-14-4-7-32-8-5-14/h1-3,6,9-11,14,20,30H,4-5,7-8,12H2,(H,26,27,28)/t20-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120126
PNG
(US8697715, Alpha | US9259470, Alpha)
Show SMILES OP(O)(=O)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H23ClFN4O6P/c23-17-2-1-15(11-18(17)24)20(13-34-35(30,31)32)28-8-4-14(12-21(28)29)19-3-7-25-22(27-19)26-16-5-9-33-10-6-16/h1-4,7-8,11-12,16,20H,5-6,9-10,13H2,(H,25,26,27)(H2,30,31,32)/t20-/m1/s1
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n/an/a 249n/an/an/an/an/an/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair