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Compile Data Set for Download or QSAR

Found 690 hits with Last Name = 'thomas' and Initial = 'aa'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180948
PNG
(US9133187, I-59)
Show SMILES Fc1ccc(cc1Cl)[C@@H](CC#N)NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C22H24ClFN6O2/c23-17-11-14(1-2-18(17)24)19(3-7-25)29-22(31)30-8-4-15-12-26-21(28-20(15)13-30)27-16-5-9-32-10-6-16/h1-2,11-12,16,19H,3-6,8-10,13H2,(H,29,31)(H,26,27,28)/t19-/m1/s1
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n/an/a 0.600n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180995
PNG
(US9133187, II-171)
Show SMILES C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@@H]1CNC[C@H]1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N6O2/c1-13(12-32)28-20-27-8-15-6-7-31(11-19(15)29-20)21(33)30-18-10-26-9-17(18)14-2-4-16(5-3-14)22(23,24)25/h2-5,8,13,17-18,26,32H,6-7,9-12H2,1H3,(H,30,33)(H,27,28,29)/t13-,17-,18+/m0/s1
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n/an/a 0.700n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180942
PNG
(US9133187, I-33)
Show SMILES C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c1-12(11-29)24-19-23-9-14-4-6-27(10-18(14)25-19)20(30)26-17(5-7-28)13-2-3-15(21)16(22)8-13/h2-3,8-9,12,17,28-29H,4-7,10-11H2,1H3,(H,26,30)(H,23,24,25)/t12-,17+/m0/s1
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n/an/a 1.10n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180929
PNG
(US9133187, I-1)
Show SMILES Clc1ccc(cc1Cl)[C@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1cnco1
Show InChI InChI=1S/C23H24Cl2N6O3/c24-17-2-1-14(9-18(17)25)21(20-11-26-13-34-20)30-23(32)31-6-3-15-10-27-22(29-19(15)12-31)28-16-4-7-33-8-5-16/h1-2,9-11,13,16,21H,3-8,12H2,(H,30,32)(H,27,28,29)/t21-/m0/s1
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n/an/a 1.10n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180935
PNG
(US9133187, I-15)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)NC([C@H]1CCCN1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H28F4N6O/c1-13(2)30-21-29-11-15-7-9-33(12-19(15)31-21)22(34)32-20(18-4-3-8-28-18)14-5-6-16(17(24)10-14)23(25,26)27/h5-6,10-11,13,18,20,28H,3-4,7-9,12H2,1-2H3,(H,32,34)(H,29,30,31)/t18-,20?/m1/s1
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n/an/a 1.10n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180936
PNG
(US9133187, I-16)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CO)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H23Cl2N5O2/c1-11(2)23-18-22-8-13-5-6-26(9-16(13)24-18)19(28)25-17(10-27)12-3-4-14(20)15(21)7-12/h3-4,7-8,11,17,27H,5-6,9-10H2,1-2H3,(H,25,28)(H,22,23,24)/t17-/m1/s1
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n/an/a 1.10n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180931
PNG
(US9133187, I-5)
Show SMILES Cn1cc(cn1)C(NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C24H27ClFN7O2/c1-32-13-17(12-28-32)22(15-2-3-19(25)20(26)10-15)31-24(34)33-7-4-16-11-27-23(30-21(16)14-33)29-18-5-8-35-9-6-18/h2-3,10-13,18,22H,4-9,14H2,1H3,(H,31,34)(H,27,29,30)
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n/an/a 1.40n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180932
PNG
(US9133187, I-7)
Show SMILES Fc1cc(ccc1Cl)C(NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1cn[nH]c1
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n/an/a 1.5n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180940
PNG
(US9133187, I-27)
Show SMILES CC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H29F2N5O3/c1-2-19(15-3-5-18(6-4-15)33-21(24)25)29-23(31)30-10-7-16-13-26-22(28-20(16)14-30)27-17-8-11-32-12-9-17/h3-6,13,17,19,21H,2,7-12,14H2,1H3,(H,29,31)(H,26,27,28)/t19-/m1/s1
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n/an/a 1.5n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180941
PNG
(US9133187, I-28)
Show SMILES COCCC(NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H29Cl2N5O3/c1-32-9-7-20(15-2-3-18(24)19(25)12-15)29-23(31)30-8-4-16-13-26-22(28-21(16)14-30)27-17-5-10-33-11-6-17/h2-3,12-13,17,20H,4-11,14H2,1H3,(H,29,31)(H,26,27,28)
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n/an/a 1.60n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180938
PNG
(US9133187, I-21)
Show SMILES C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C19H23ClFN5O2/c1-11(10-27)23-18-22-8-14-5-6-26(9-17(14)25-18)19(28)24-12(2)13-3-4-15(20)16(21)7-13/h3-4,7-8,11-12,27H,5-6,9-10H2,1-2H3,(H,24,28)(H,22,23,25)/t11-,12+/m0/s1
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n/an/a 1.60n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180945
PNG
(US9133187, I-50)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C(F)(F)C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H23Cl2F2N5O2/c1-12(13-2-3-16(22)17(23)8-13)27-20(31)30-10-18-15(21(24,25)11-30)9-26-19(29-18)28-14-4-6-32-7-5-14/h2-3,8-9,12,14H,4-7,10-11H2,1H3,(H,27,31)(H,26,28,29)/t12-/m1/s1
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n/an/a 1.60n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180967
PNG
(US9133187, I-120)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H28F4N6O/c1-13(2)29-21-28-9-15-6-7-33(12-19(15)30-21)22(34)31-20-11-32(3)10-16(20)14-4-5-17(18(24)8-14)23(25,26)27/h4-5,8-9,13,16,20H,6-7,10-12H2,1-3H3,(H,31,34)(H,28,29,30)/t16-,20+/m0/s1
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n/an/a 1.60n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180966
PNG
(US9133187, I-119)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)NC(CCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O/c1-13(2)27-19-26-11-15-8-10-30(12-18(15)28-19)20(31)29-17(7-9-25)14-3-5-16(6-4-14)21(22,23)24/h3-6,11,13,17H,7-10,12,25H2,1-2H3,(H,29,31)(H,26,27,28)
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n/an/a 1.80n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50021736
PNG
(CHEMBL3297855 | US9133187, II-7)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CN)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H24ClFN6O/c1-11(2)24-18-23-9-13-5-6-27(10-17(13)25-18)19(28)26-16(8-22)12-3-4-15(21)14(20)7-12/h3-4,7,9,11,16H,5-6,8,10,22H2,1-2H3,(H,26,28)(H,23,24,25)/t16-/m1/s1
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n/an/a 1.90n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180959
PNG
(US9133187, I-90)
Show SMILES C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H21Cl2N5O2/c1-11(10-26)23-17-21-8-13-4-5-25(9-16(13)24-17)18(27)22-7-12-2-3-14(19)15(20)6-12/h2-3,6,8,11,26H,4-5,7,9-10H2,1H3,(H,22,27)(H,21,23,24)/t11-/m0/s1
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n/an/a 2.10n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180993
PNG
(US9133187, II-136)
Show SMILES C[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1
Show InChI InChI=1S/C20H26ClN5O2/c1-13(9-15-3-5-17(21)6-4-15)24-20(28)26-8-7-16-10-22-19(23-14(2)12-27)25-18(16)11-26/h3-6,10,13-14,27H,7-9,11-12H2,1-2H3,(H,24,28)(H,22,23,25)/t13-,14+/m1/s1
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n/an/a 2.20n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180961
PNG
(US9133187, I-104)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)NC(CCC#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N6O/c1-13(2)26-20-25-11-15-7-9-29(12-19(15)27-20)21(30)28-18(4-3-8-24)14-5-6-16(22)17(23)10-14/h5-6,10-11,13,18H,3-4,7,9,12H2,1-2H3,(H,28,30)(H,25,26,27)
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n/an/a 2.20n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180968
PNG
(US9133187, I-124)
Show SMILES CN1CC(NC(=O)N2CCc3cnc(NC4CCOCC4)nc3C2)[C@@H](C1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C24H30ClFN6O2/c1-31-12-18(15-2-3-19(25)20(26)10-15)22(13-31)30-24(33)32-7-4-16-11-27-23(29-21(16)14-32)28-17-5-8-34-9-6-17/h2-3,10-11,17-18,22H,4-9,12-14H2,1H3,(H,30,33)(H,27,28,29)/t18-,22?/m0/s1
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n/an/a 2.30n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM181009
PNG
(US9133187, II-415)
Show SMILES CCCC(NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C22H30FN5O3/c1-4-5-18(15-6-7-20(31-3)17(23)10-15)27-22(30)28-9-8-16-11-24-21(25-14(2)13-29)26-19(16)12-28/h6-7,10-11,14,18,29H,4-5,8-9,12-13H2,1-3H3,(H,27,30)(H,24,25,26)/t14-,18?/m0/s1
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n/an/a 2.30n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180953
PNG
(US9133187, I-68)
Show SMILES CNC[C@@H](NC(=O)N1CCc2cnc(Nc3ccc(F)cc3)nc2C1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C24H23F5N6O/c1-30-12-20(14-2-7-18(19(26)10-14)24(27,28)29)34-23(36)35-9-8-15-11-31-22(33-21(15)13-35)32-17-5-3-16(25)4-6-17/h2-7,10-11,20,30H,8-9,12-13H2,1H3,(H,34,36)(H,31,32,33)/t20-/m1/s1
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n/an/a 2.30n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180973
PNG
(US9133187, I-144)
Show SMILES Fc1cc(ccc1Cl)[C@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)[C@@H]1CNCCO1
Show InChI InChI=1S/C24H30ClFN6O3/c25-18-2-1-15(11-19(18)26)22(21-13-27-6-10-35-21)31-24(33)32-7-3-16-12-28-23(30-20(16)14-32)29-17-4-8-34-9-5-17/h1-2,11-12,17,21-22,27H,3-10,13-14H2,(H,31,33)(H,28,29,30)/t21-,22-/m0/s1
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n/an/a 2.30n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM181000
PNG
(US9133187, II-287)
Show SMILES Fc1ccc(cc1Cl)[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)[C@H]1CNCCO1
Show InChI InChI=1S/C24H30ClFN6O3/c25-18-11-15(1-2-19(18)26)22(21-13-27-6-10-35-21)31-24(33)32-7-3-16-12-28-23(30-20(16)14-32)29-17-4-8-34-9-5-17/h1-2,11-12,17,21-22,27H,3-10,13-14H2,(H,31,33)(H,28,29,30)/t21-,22-/m1/s1
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n/an/a 2.30n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180991
PNG
(US9133187, II-116)
Show SMILES C[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CCC(F)(F)C3)nc2C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H23Cl2F2N5O/c1-12(13-2-3-16(22)17(23)8-13)27-20(31)30-7-5-14-10-26-19(29-18(14)11-30)28-15-4-6-21(24,25)9-15/h2-3,8,10,12,15H,4-7,9,11H2,1H3,(H,27,31)(H,26,28,29)/t12-,15+/m1/s1
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n/an/a 2.33n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM181005
PNG
(US9133187, II-366)
Show SMILES CC1CC(CCO1)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C22H27ClFN5O3/c1-13-8-16(5-7-32-13)26-21-25-10-15-4-6-29(11-19(15)27-21)22(31)28-20(12-30)14-2-3-17(23)18(24)9-14/h2-3,9-10,13,16,20,30H,4-8,11-12H2,1H3,(H,28,31)(H,25,26,27)/t13?,16?,20-/m1/s1
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n/an/a 2.39n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180982
PNG
(US9133187, II-51)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CNc1ccncn1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C23H26ClFN8O/c1-14(2)30-22-28-10-16-6-8-33(12-20(16)31-22)23(34)32-19(11-27-21-5-7-26-13-29-21)15-3-4-18(25)17(24)9-15/h3-5,7,9-10,13-14,19H,6,8,11-12H2,1-2H3,(H,32,34)(H,26,27,29)(H,28,30,31)/t19-/m1/s1
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n/an/a 2.40n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180951
PNG
(US9133187, I-62)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H]([C@H](O)CO)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c1-11(2)24-19-23-8-13-5-6-27(9-16(13)25-19)20(30)26-18(17(29)10-28)12-3-4-14(21)15(22)7-12/h3-4,7-8,11,17-18,28-29H,5-6,9-10H2,1-2H3,(H,26,30)(H,23,24,25)/t17-,18+/m1/s1
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n/an/a 2.40n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180933
PNG
(US9133187, I-9)
Show SMILES Fc1cc(ccc1Cl)C(NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1nnco1
Show InChI InChI=1S/C22H23ClFN7O3/c23-16-2-1-13(9-17(16)24)19(20-30-26-12-34-20)29-22(32)31-6-3-14-10-25-21(28-18(14)11-31)27-15-4-7-33-8-5-15/h1-2,9-10,12,15,19H,3-8,11H2,(H,29,32)(H,25,27,28)
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n/an/a 2.40n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM181004
PNG
(US9133187, II-359)
Show SMILES Fc1cc(ccc1Cl)[C@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1nnco1
Show InChI InChI=1S/C22H23ClFN7O3/c23-16-2-1-13(9-17(16)24)19(20-30-26-12-34-20)29-22(32)31-6-3-14-10-25-21(28-18(14)11-31)27-15-4-7-33-8-5-15/h1-2,9-10,12,15,19H,3-8,11H2,(H,29,32)(H,25,27,28)/t19-/m0/s1
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n/an/a 2.40n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180962
PNG
(US9133187, I-105)
Show SMILES CS(=O)(=O)CCC(NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H29Cl2N5O4S/c1-35(32,33)11-7-20(15-2-3-18(24)19(25)12-15)29-23(31)30-8-4-16-13-26-22(28-21(16)14-30)27-17-5-9-34-10-6-17/h2-3,12-13,17,20H,4-11,14H2,1H3,(H,29,31)(H,26,27,28)
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n/an/a 2.60n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180946
PNG
(US9133187, I-52)
Show SMILES C[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CC[C@H](O)C3)nc2C1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H25F4N5O2/c1-12(13-2-5-17(18(23)8-13)22(24,25)26)28-21(33)31-7-6-14-10-27-20(30-19(14)11-31)29-15-3-4-16(32)9-15/h2,5,8,10,12,15-16,32H,3-4,6-7,9,11H2,1H3,(H,28,33)(H,27,29,30)/t12-,15+,16+/m1/s1
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n/an/a 2.70n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180963
PNG
(US9133187, I-107)
Show SMILES CC(NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc2cc[nH]c2c1
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n/an/a 2.70n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180950
PNG
(US9133187, I-61)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H]([C@H]1CCCN1C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H30Cl2N6O/c1-14(2)27-22-26-12-16-8-10-31(13-19(16)28-22)23(32)29-21(20-5-4-9-30(20)3)15-6-7-17(24)18(25)11-15/h6-7,11-12,14,20-21H,4-5,8-10,13H2,1-3H3,(H,29,32)(H,26,27,28)/t20-,21+/m1/s1
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n/an/a 2.90n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180974
PNG
(US9133187, I-149)
Show SMILES C[C@@H](CO)Nc1cc2CN(CCc2cn1)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O2/c1-12(11-27)24-19-8-16-10-26(6-5-15(16)9-23-19)20(28)25-13(2)14-3-4-17(21)18(22)7-14/h3-4,7-9,12-13,27H,5-6,10-11H2,1-2H3,(H,23,24)(H,25,28)/t12-,13+/m0/s1
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n/an/a 3n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM181007
PNG
(US9133187, II-399)
Show SMILES COCCC[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H29Cl2N5O3/c1-14(15-5-6-18(23)19(24)10-15)26-22(31)29-8-7-16-11-25-21(28-20(16)12-29)27-17(13-30)4-3-9-32-2/h5-6,10-11,14,17,30H,3-4,7-9,12-13H2,1-2H3,(H,26,31)(H,25,27,28)/t14-,17+/m1/s1
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n/an/a 3.03n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM181006
PNG
(US9133187, II-371)
Show SMILES C[C@@H](NC(=O)N1CCc2cnc(N[C@@H]3C[C@H](O)C3)nc2C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2N5O2/c1-11(12-2-3-16(21)17(22)6-12)24-20(29)27-5-4-13-9-23-19(26-18(13)10-27)25-14-7-15(28)8-14/h2-3,6,9,11,14-15,28H,4-5,7-8,10H2,1H3,(H,24,29)(H,23,25,26)/t11-,14-,15+/m1/s1
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n/an/a 3.15n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180937
PNG
(US9133187, I-17)
Show SMILES CNC[C@@H](NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C20H26ClFN6O/c1-12(2)25-19-24-9-14-6-7-28(11-18(14)26-19)20(29)27-17(10-23-3)13-4-5-15(21)16(22)8-13/h4-5,8-9,12,17,23H,6-7,10-11H2,1-3H3,(H,27,29)(H,24,25,26)/t17-/m1/s1
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n/an/a 3.20n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180939
PNG
(US9133187, I-23)
Show SMILES C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C19H20Cl2F3N5O2/c1-10(9-30)26-17-25-7-12-4-5-29(8-15(12)27-17)18(31)28-16(19(22,23)24)11-2-3-13(20)14(21)6-11/h2-3,6-7,10,16,30H,4-5,8-9H2,1H3,(H,28,31)(H,25,26,27)/t10-,16-/m0/s1
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n/an/a 3.20n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50021732
PNG
(CHEMBL3297851 | US9133187, II-40)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H]([C@H](C)O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H25ClFN5O2/c1-11(2)24-19-23-9-14-6-7-27(10-17(14)25-19)20(29)26-18(12(3)28)13-4-5-16(22)15(21)8-13/h4-5,8-9,11-12,18,28H,6-7,10H2,1-3H3,(H,26,29)(H,23,24,25)/t12-,18+/m0/s1
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n/an/a 3.23n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180949
PNG
(US9133187, I-60)
Show SMILES CC(CF)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CO)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2FN5O2/c1-11(7-22)24-18-23-8-13-4-5-27(9-16(13)25-18)19(29)26-17(10-28)12-2-3-14(20)15(21)6-12/h2-3,6,8,11,17,28H,4-5,7,9-10H2,1H3,(H,26,29)(H,23,24,25)/t11?,17-/m1/s1
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n/an/a 3.30n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180960
PNG
(US9133187, I-93)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)NC1(CCNCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H28Cl2N6O/c1-14(2)27-20-26-12-15-5-10-30(13-19(15)28-20)21(31)29-22(6-8-25-9-7-22)16-3-4-17(23)18(24)11-16/h3-4,11-12,14,25H,5-10,13H2,1-2H3,(H,29,31)(H,26,27,28)
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n/an/a 3.80n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180930
PNG
(US9133187, I-3)
Show SMILES Cn1ccc(n1)C(NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C24H27ClFN7O2/c1-32-8-5-20(31-32)22(15-2-3-18(25)19(26)12-15)30-24(34)33-9-4-16-13-27-23(29-21(16)14-33)28-17-6-10-35-11-7-17/h2-3,5,8,12-13,17,22H,4,6-7,9-11,14H2,1H3,(H,30,34)(H,27,28,29)
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n/an/a 3.80n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM181002
PNG
(US9133187, II-341)
Show SMILES Fc1ccc(cc1F)[C@@H]1CN(CC#N)C[C@H]1NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C25H29F2N7O2/c26-20-2-1-16(11-21(20)27)19-13-33(8-6-28)14-23(19)32-25(35)34-7-3-17-12-29-24(31-22(17)15-34)30-18-4-9-36-10-5-18/h1-2,11-12,18-19,23H,3-5,7-10,13-15H2,(H,32,35)(H,29,30,31)/t19-,23+/m0/s1
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n/an/a 4n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180934
PNG
(US9133187, I-12)
Show SMILES Fc1cc(ccc1Cl)[C@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccno1
Show InChI InChI=1S/C23H24ClFN6O3/c24-17-2-1-14(11-18(17)25)21(20-3-7-27-34-20)30-23(32)31-8-4-15-12-26-22(29-19(15)13-31)28-16-5-9-33-10-6-16/h1-3,7,11-12,16,21H,4-6,8-10,13H2,(H,30,32)(H,26,28,29)/t21-/m0/s1
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n/an/a 4n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180952
PNG
(US9133187, I-66)
Show SMILES CNC[C@@H](NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N6O/c1-12(2)28-19-27-9-14-6-7-31(11-18(14)29-19)20(32)30-17(10-26-3)13-4-5-15(16(22)8-13)21(23,24)25/h4-5,8-9,12,17,26H,6-7,10-11H2,1-3H3,(H,30,32)(H,27,28,29)/t17-/m1/s1
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n/an/a 4.10n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180976
PNG
(US9133187, II-17)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C25H27ClFN5O3/c26-20-11-17(6-7-21(20)27)23(15-34)31-25(35)32-9-8-18-12-28-24(30-22(18)13-32)29-19(14-33)10-16-4-2-1-3-5-16/h1-7,11-12,19,23,33-34H,8-10,13-15H2,(H,31,35)(H,28,29,30)/t19-,23+/m0/s1
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n/an/a 4.10n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180981
PNG
(US9133187, II-50)
Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CNc1ncccn1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C23H26ClFN8O/c1-14(2)30-22-28-11-16-6-9-33(13-20(16)31-22)23(34)32-19(12-29-21-26-7-3-8-27-21)15-4-5-18(25)17(24)10-15/h3-5,7-8,10-11,14,19H,6,9,12-13H2,1-2H3,(H,32,34)(H,26,27,29)(H,28,30,31)/t19-/m1/s1
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n/an/a 4.43n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180990
PNG
(US9133187, II-111)
Show SMILES C[C@@H](NC(=O)N1CCc2cnc(N[C@H](CO)Cc3ccccc3)nc2C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N5O2/c1-16(18-7-8-21(26)22(27)12-18)29-25(34)32-10-9-19-13-28-24(31-23(19)14-32)30-20(15-33)11-17-5-3-2-4-6-17/h2-8,12-13,16,20,33H,9-11,14-15H2,1H3,(H,29,34)(H,28,30,31)/t16-,20+/m1/s1
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n/an/a 4.70n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180944
PNG
(US9133187, I-37)
Show SMILES CC[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CC[C@H](O)C3)nc2C1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H27F4N5O2/c1-2-19(13-3-6-17(18(24)9-13)23(25,26)27)31-22(34)32-8-7-14-11-28-21(30-20(14)12-32)29-15-4-5-16(33)10-15/h3,6,9,11,15-16,19,33H,2,4-5,7-8,10,12H2,1H3,(H,31,34)(H,28,29,30)/t15-,16-,19+/m0/s1
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n/an/a 4.80n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM180947
PNG
(US9133187, I-56)
Show SMILES COCC(=O)OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H29ClFN5O5/c1-34-14-22(32)36-13-21(15-2-3-19(26)18(25)10-15)30-24(33)31-7-4-16-11-27-23(29-20(16)12-31)28-17-5-8-35-9-6-17/h2-3,10-11,17,21H,4-9,12-14H2,1H3,(H,30,33)(H,27,28,29)/t21-/m1/s1
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n/an/a 5.30n/an/an/an/a7.3n/a



Array BioPharma 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 US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair
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