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Compile Data Set for Download or QSAR

Found 503 hits with Last Name = 'angeles' and Initial = 'ar'   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199828
PNG
(US9226922, 464)
Show SMILES CCOc1n[nH]c2cc(NC(=O)N[C@H]([C@@H](C)O)c3ccc(F)cc3)nc(CO)c12 |r|
Show InChI InChI=1/C19H22FN5O4/c1-3-29-18-16-13(24-25-18)8-15(21-14(16)9-26)22-19(28)23-17(10(2)27)11-4-6-12(20)7-5-11/h4-8,10,17,26-27H,3,9H2,1-2H3,(H,24,25)(H2,21,22,23,28)/t10-,17-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199881
PNG
(US9226922, 518)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)nc(CO)c12 |r|
Show InChI InChI=1/C21H26FN5O5/c1-21(2,30)18(12-4-6-13(22)7-5-12)25-20(29)24-16-10-14-17(15(11-28)23-16)19(27-26-14)32-9-8-31-3/h4-7,10,18,28,30H,8-9,11H2,1-3H3,(H,26,27)(H2,23,24,25,29)/t18-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199880
PNG
(US9226922, 517)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(CO)c12 |r|
Show InChI InChI=1/C21H27N5O5/c1-21(2,29)18(13-7-5-4-6-8-13)24-20(28)23-16-11-14-17(15(12-27)22-16)19(26-25-14)31-10-9-30-3/h4-8,11,18,27,29H,9-10,12H2,1-3H3,(H,25,26)(H2,22,23,24,28)/t18-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199864
PNG
(US9226922, 500)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2c(CO)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C21H24F3N5O5/c1-21(2,32)17(11-3-5-12(22)6-4-11)27-20(31)26-15-9-13-16(14(10-30)25-15)18(29-28-13)33-7-8-34-19(23)24/h3-6,9,17,19,30,32H,7-8,10H2,1-2H3,(H,28,29)(H2,25,26,27,31)/t17-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199907
PNG
(US9226922, 544 | US9226922, 555 | US9226922, 556)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC(C)C3)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C22H27N5O4/c1-14-10-16(8-9-30-14)31-21-17-12-23-20(11-18(17)26-27-21)25-22(28)24-19(13-29-2)15-6-4-3-5-7-15/h3-7,11-12,14,16,19H,8-10,13H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t14?,16?,19-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199862
PNG
(US9226922, 498)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(CO)c12 |r|
Show InChI InChI=1/C19H23N5O4/c1-12(13-6-4-3-5-7-13)20-19(26)22-16-10-14-17(15(11-25)21-16)18(24-23-14)28-9-8-27-2/h3-7,10,12,25H,8-9,11H2,1-2H3,(H,23,24)(H2,20,21,22,26)/t12-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199529
PNG
(US9226922, 70)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOCC3)c2c(C)n1)c1ccccc1 |r|
Show InChI InChI=1/C22H27N5O4/c1-14-20-17(26-27-21(20)31-16-8-10-30-11-9-16)12-19(23-14)25-22(28)24-18(13-29-2)15-6-4-3-5-7-15/h3-7,12,16,18H,8-11,13H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t18-/s2
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n/an/a 0.340n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199890
PNG
(US9226922, 527)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C3(O)CCC3)nc(CO)c12 |r|
Show InChI InChI=1/C22H26FN5O5/c1-32-9-10-33-20-18-15(27-28-20)11-17(24-16(18)12-29)25-21(30)26-19(22(31)7-2-8-22)13-3-5-14(23)6-4-13/h3-6,11,19,29,31H,2,7-10,12H2,1H3,(H,27,28)(H2,24,25,26,30)/t19-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199741
PNG
(US9226922, 377)
Show SMILES COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)c(C)c3)C(C)(C)O)nc(CO)c12 |r|
Show InChI InChI=1/C20H24FN5O4/c1-10-7-11(5-6-12(10)21)17(20(2,3)29)24-19(28)23-15-8-13-16(14(9-27)22-15)18(30-4)26-25-13/h5-8,17,27,29H,9H2,1-4H3,(H,25,26)(H2,22,23,24,28)/t17-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199572
PNG
(US9226922, 208)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2c(CO)n1)c1ccccc1 |r|
Show InChI InChI=1/C19H23N5O5/c1-11(27)17(12-5-3-2-4-6-12)22-19(28)21-15-9-13-16(14(10-26)20-15)18(24-23-13)29-8-7-25/h2-6,9,11,17,25-27H,7-8,10H2,1H3,(H,23,24)(H2,20,21,22,28)/t11-,17-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199865
PNG
(US9226922, 501)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2c(CO)n1)c1ccccc1 |r|
Show InChI InChI=1/C20H23F2N5O5/c1-11(29)17(12-5-3-2-4-6-12)25-20(30)24-15-9-13-16(14(10-28)23-15)18(27-26-13)31-7-8-32-19(21)22/h2-6,9,11,17,19,28-29H,7-8,10H2,1H3,(H,26,27)(H2,23,24,25,30)/t11-,17-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199800
PNG
(US9226922, 436)
Show SMILES C[C@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2cn1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C19H20F3N5O4/c1-10(28)16(11-2-4-12(20)5-3-11)25-19(29)24-15-8-14-13(9-23-15)17(27-26-14)30-6-7-31-18(21)22/h2-5,8-10,16,18,28H,6-7H2,1H3,(H,26,27)(H2,23,24,25,29)/t10-,16+/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199557
PNG
(US9226922, 107)
Show SMILES COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(Cl)c(Cl)c3)C(C)(C)O)nc(CO)c12 |r|
Show InChI InChI=1/C19H21Cl2N5O4/c1-19(2,29)16(9-4-5-10(20)11(21)6-9)24-18(28)23-14-7-12-15(13(8-27)22-14)17(30-3)26-25-12/h4-7,16,27,29H,8H2,1-3H3,(H,25,26)(H2,22,23,24,28)/t16-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199826
PNG
(US9226922, 462)
Show SMILES CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(CO)c12 |r|
Show InChI InChI=1/C20H25N5O4/c1-4-29-18-16-13(24-25-18)10-15(21-14(16)11-26)22-19(27)23-17(20(2,3)28)12-8-6-5-7-9-12/h5-10,17,26,28H,4,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)/t17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199827
PNG
(US9226922, 463)
Show SMILES CCOc1n[nH]c2cc(NC(=O)N[C@H]([C@@H](C)O)c3ccccc3)nc(CO)c12 |r|
Show InChI InChI=1/C19H23N5O4/c1-3-28-18-16-13(23-24-18)9-15(20-14(16)10-25)21-19(27)22-17(11(2)26)12-7-5-4-6-8-12/h4-9,11,17,25-26H,3,10H2,1-2H3,(H,23,24)(H2,20,21,22,27)/t11-,17-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199933
PNG
(US9226922, 570)
Show SMILES CC(C)(O)C(NC(=O)Nc1cc2[nH]nc(OC3CCOC3)c2cn1)c1ccc(F)cc1
Show InChI InChI=1/C21H24FN5O4/c1-21(2,29)18(12-3-5-13(22)6-4-12)25-20(28)24-17-9-16-15(10-23-17)19(27-26-16)31-14-7-8-30-11-14/h3-6,9-10,14,18,29H,7-8,11H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t14?,18-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM60908
PNG
(US9226922, 578)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC3)c2cn1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C21H24FN5O4/c1-21(2,29)18(12-3-5-13(22)6-4-12)25-20(28)24-17-9-16-15(10-23-17)19(27-26-16)31-14-7-8-30-11-14/h3-6,9-10,14,18,29H,7-8,11H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t14?,18-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199781
PNG
(US9226922, 417)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C20H23F2N5O4/c1-20(2,29)16(12-6-4-3-5-7-12)25-19(28)24-15-10-14-13(11-23-15)17(27-26-14)30-8-9-31-18(21)22/h3-7,10-11,16,18,29H,8-9H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t16-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199867
PNG
(US9226922, 503)
Show SMILES Cc1nc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)O)cc2[nH]nc(OCCO)c12 |r|
Show InChI InChI=1/C20H25N5O4/c1-12-16-14(24-25-18(16)29-10-9-26)11-15(21-12)22-19(27)23-17(20(2,3)28)13-7-5-4-6-8-13/h4-8,11,17,26,28H,9-10H2,1-3H3,(H,24,25)(H2,21,22,23,27)/t17-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199825
PNG
(US9226922, 461)
Show SMILES CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)nc(CO)c12 |r|
Show InChI InChI=1/C20H24FN5O4/c1-4-30-18-16-13(25-26-18)9-15(22-14(16)10-27)23-19(28)24-17(20(2,3)29)11-5-7-12(21)8-6-11/h5-9,17,27,29H,4,10H2,1-3H3,(H,25,26)(H2,22,23,24,28)/t17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199788
PNG
(US9226922, 424)
Show SMILES C[C@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C19H21F2N5O4/c1-11(27)16(12-5-3-2-4-6-12)24-19(28)23-15-9-14-13(10-22-15)17(26-25-14)29-7-8-30-18(20)21/h2-6,9-11,16,18,27H,7-8H2,1H3,(H,25,26)(H2,22,23,24,28)/t11-,16+/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199472
PNG
(US9226922, 34)
Show SMILES OC[C@@H](NC(=O)Nc1ncc2c(OCc3ccncc3)n[nH]c2c1F)c1ccccc1 |r|
Show InChI InChI=1/C21H19FN6O3/c22-17-18-15(20(28-27-18)31-12-13-6-8-23-9-7-13)10-24-19(17)26-21(30)25-16(11-29)14-4-2-1-3-5-14/h1-10,16,29H,11-12H2,(H,27,28)(H2,24,25,26,30)/t16-/s2
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n/an/a 0.420n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199863
PNG
(US9226922, 499)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC3)c2c(CO)n1)c1ccccc1 |r|
Show InChI InChI=1/C20H23N5O4/c1-12(13-5-3-2-4-6-13)21-20(27)23-17-9-15-18(16(10-26)22-17)19(25-24-15)29-14-7-8-28-11-14/h2-6,9,12,14,26H,7-8,10-11H2,1H3,(H,24,25)(H2,21,22,23,27)/t12-,14?/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199820
PNG
(US9226922, 456 | US9226922, 573)
Show SMILES CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 |r|
Show InChI InChI=1/C19H22FN5O3/c1-4-28-17-13-10-21-15(9-14(13)24-25-17)22-18(26)23-16(19(2,3)27)11-5-7-12(20)8-6-11/h5-10,16,27H,4H2,1-3H3,(H,24,25)(H2,21,22,23,26)/t16-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199798
PNG
(US9226922, 434)
Show SMILES OC[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@H](O)C(F)(F)F)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C18H18F3N5O4/c19-18(20,21)14(28)9-30-16-11-7-22-15(6-12(11)25-26-16)24-17(29)23-13(8-27)10-4-2-1-3-5-10/h1-7,13-14,27-28H,8-9H2,(H,25,26)(H2,22,23,24,29)/t13-,14+/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199789
PNG
(US9226922, 425)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C18H21N5O4/c1-11(25)16(12-5-3-2-4-6-12)21-18(26)20-15-9-14-13(10-19-15)17(23-22-14)27-8-7-24/h2-6,9-11,16,24-25H,7-8H2,1H3,(H,22,23)(H2,19,20,21,26)/t11-,16-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199785
PNG
(US9226922, 421)
Show SMILES OCCOc1n[nH]c2cc(NC(=O)N[C@H](CO)c3ccccc3)ncc12 |r|
Show InChI InChI=1/C17H19N5O4/c23-6-7-26-16-12-9-18-15(8-13(12)21-22-16)20-17(25)19-14(10-24)11-4-2-1-3-5-11/h1-5,8-9,14,23-24H,6-7,10H2,(H,21,22)(H2,18,19,20,25)/t14-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199780
PNG
(US9226922, 416)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2cn1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C20H22F3N5O4/c1-20(2,30)16(11-3-5-12(21)6-4-11)26-19(29)25-15-9-14-13(10-24-15)17(28-27-14)31-7-8-32-18(22)23/h3-6,9-10,16,18,30H,7-8H2,1-2H3,(H,27,28)(H2,24,25,26,29)/t16-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199727
PNG
(US9226922, 363)
Show SMILES COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(O)c3)nc(CO)c12 |r|
Show InChI InChI=1/C17H18ClN5O4/c1-8(9-3-4-10(18)13(25)5-9)19-17(26)21-14-6-11-15(12(7-24)20-14)16(27-2)23-22-11/h3-6,8,24-25H,7H2,1-2H3,(H,22,23)(H2,19,20,21,26)/t8-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199571
PNG
(US9226922, 207)
Show SMILES C[C@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2c(CO)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C19H22FN5O5/c1-10(28)17(11-2-4-12(20)5-3-11)23-19(29)22-15-8-13-16(14(9-27)21-15)18(25-24-13)30-7-6-26/h2-5,8,10,17,26-28H,6-7,9H2,1H3,(H,24,25)(H2,21,22,23,29)/t10-,17+/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199569
PNG
(US9226922, 205)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2c(CO)n1)c1ccccc1 |r|
Show InChI InChI=1/C20H25N5O5/c1-20(2,29)17(12-6-4-3-5-7-12)23-19(28)22-15-10-13-16(14(11-27)21-15)18(25-24-13)30-9-8-26/h3-7,10,17,26-27,29H,8-9,11H2,1-2H3,(H,24,25)(H2,21,22,23,28)/t17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199783
PNG
(US9226922, 419)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2cn1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C19H22FN5O4/c1-19(2,28)16(11-3-5-12(20)6-4-11)23-18(27)22-15-9-14-13(10-21-15)17(25-24-14)29-8-7-26/h3-6,9-10,16,26,28H,7-8H2,1-2H3,(H,24,25)(H2,21,22,23,27)/t16-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199574
PNG
(US9226922, 210)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2c(CO)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C19H22FN5O5/c1-10(28)17(11-2-4-12(20)5-3-11)23-19(29)22-15-8-13-16(14(9-27)21-15)18(25-24-13)30-7-6-26/h2-5,8,10,17,26-28H,6-7,9H2,1H3,(H,24,25)(H2,21,22,23,29)/t10-,17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199932
PNG
(US9226922, 569)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC3)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C21H25N5O4/c1-21(2,28)18(13-6-4-3-5-7-13)24-20(27)23-17-10-16-15(11-22-17)19(26-25-16)30-14-8-9-29-12-14/h3-7,10-11,14,18,28H,8-9,12H2,1-2H3,(H,25,26)(H2,22,23,24,27)/t14?,18-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199927
PNG
(US9226922, 564)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 |r|
Show InChI InChI=1/C20H24FN5O4/c1-20(2,28)17(12-4-6-13(21)7-5-12)24-19(27)23-16-10-15-14(11-22-16)18(26-25-15)30-9-8-29-3/h4-7,10-11,17,28H,8-9H2,1-3H3,(H,25,26)(H2,22,23,24,27)/t17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199902
PNG
(US9226922, 539 | US9226922, 553 | US9226922, 554)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC(C)C3)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C21H25N5O3/c1-13-10-16(8-9-28-13)29-20-17-12-22-19(11-18(17)25-26-20)24-21(27)23-14(2)15-6-4-3-5-7-15/h3-7,11-14,16H,8-10H2,1-2H3,(H,25,26)(H2,22,23,24,27)/t13?,14-,16?/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199889
PNG
(US9226922, 526)
Show SMILES CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C3(O)CCC3)nc(CO)c12 |r|
Show InChI InChI=1/C21H24FN5O4/c1-2-31-19-17-14(26-27-19)10-16(23-15(17)11-28)24-20(29)25-18(21(30)8-3-9-21)12-4-6-13(22)7-5-12/h4-7,10,18,28,30H,2-3,8-9,11H2,1H3,(H,26,27)(H2,23,24,25,29)/t18-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199885
PNG
(US9226922, 522)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCC(F)F)c2c(CO)n1)c1ccccc1 |r|
Show InChI InChI=1/C20H23F2N5O4/c1-20(2,30)17(11-6-4-3-5-7-11)25-19(29)24-15-8-12-16(13(9-28)23-15)18(27-26-12)31-10-14(21)22/h3-8,14,17,28,30H,9-10H2,1-2H3,(H,26,27)(H2,23,24,25,29)/t17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199878
PNG
(US9226922, 515)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCC3)nc(CO)c12 |r|
Show InChI InChI=1/C22H27N5O5/c1-31-10-11-32-20-18-15(26-27-20)12-17(23-16(18)13-28)24-21(29)25-19(22(30)8-5-9-22)14-6-3-2-4-7-14/h2-4,6-7,12,19,28,30H,5,8-11,13H2,1H3,(H,26,27)(H2,23,24,25,29)/t19-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199866
PNG
(US9226922, 502)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2c(CO)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C20H22F3N5O5/c1-10(30)17(11-2-4-12(21)5-3-11)26-20(31)25-15-8-13-16(14(9-29)24-15)18(28-27-13)32-6-7-33-19(22)23/h2-5,8,10,17,19,29-30H,6-7,9H2,1H3,(H,27,28)(H2,24,25,26,31)/t10-,17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199467
PNG
(US9226922, 29)
Show SMILES C[C@@H](NC(=O)Nc1ncc2c(OCc3ccncc3)n[nH]c2c1F)c1ccccc1 |r|
Show InChI InChI=1/C21H19FN6O2/c1-13(15-5-3-2-4-6-15)25-21(29)26-19-17(22)18-16(11-24-19)20(28-27-18)30-12-14-7-9-23-10-8-14/h2-11,13H,12H2,1H3,(H,27,28)(H2,24,25,26,29)/t13-/s2
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n/an/a 0.570n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199891
PNG
(US9226922, 528)
Show SMILES O[C@@H]1CCOc2ccccc2[C@@H]1NC(=O)Nc1cc2[nH]nc(OCC(F)F)c2cn1 |r|
Show InChI InChI=1/C19H19F2N5O4/c20-15(21)9-30-18-11-8-22-16(7-12(11)25-26-18)23-19(28)24-17-10-3-1-2-4-14(10)29-6-5-13(17)27/h1-4,7-8,13,15,17,27H,5-6,9H2,(H,25,26)(H2,22,23,24,28)/t13-,17+/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199879
PNG
(US9226922, 516)
Show SMILES CCOCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCC3)nc(CO)c12 |r|
Show InChI InChI=1/C23H29N5O5/c1-2-32-11-12-33-21-19-16(27-28-21)13-18(24-17(19)14-29)25-22(30)26-20(23(31)9-6-10-23)15-7-4-3-5-8-15/h3-5,7-8,13,20,29,31H,2,6,9-12,14H2,1H3,(H,27,28)(H2,24,25,26,30)/t20-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199801
PNG
(US9226922, 437)
Show SMILES C[C@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C18H21N5O4/c1-11(25)16(12-5-3-2-4-6-12)21-18(26)20-15-9-14-13(10-19-15)17(23-22-14)27-8-7-24/h2-6,9-11,16,24-25H,7-8H2,1H3,(H,22,23)(H2,19,20,21,26)/t11-,16+/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199870
PNG
(US9226922, 507)
Show SMILES O=C(NC1CCCOc2ccccc12)Nc1cc2[nH]nc(OC3CCOCC3)c2cn1
Show InChI InChI=1/C22H25N5O4/c28-22(24-17-5-3-9-30-19-6-2-1-4-15(17)19)25-20-12-18-16(13-23-20)21(27-26-18)31-14-7-10-29-11-8-14/h1-2,4,6,12-14,17H,3,5,7-11H2,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199782
PNG
(US9226922, 418)
Show SMILES OC[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C18H19F2N5O4/c19-17(20)29-7-6-28-16-12-9-21-15(8-13(12)24-25-16)23-18(27)22-14(10-26)11-4-2-1-3-5-11/h1-5,8-9,14,17,26H,6-7,10H2,(H,24,25)(H2,21,22,23,27)/t14-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199923
PNG
(US9226922, 560)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 |r|
Show InChI InChI=1/C20H25N5O4/c1-20(2,27)17(13-7-5-4-6-8-13)23-19(26)22-16-11-15-14(12-21-16)18(25-24-15)29-10-9-28-3/h4-8,11-12,17,27H,9-10H2,1-3H3,(H,24,25)(H2,21,22,23,26)/t17-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199793
PNG
(US9226922, 429)
Show SMILES CCOc1n[nH]c2cc(NC(=O)N[C@H]([C@@H](C)O)c3ccc(F)cc3)ncc12 |r|
Show InChI InChI=1/C18H20FN5O3/c1-3-27-17-13-9-20-15(8-14(13)23-24-17)21-18(26)22-16(10(2)25)11-4-6-12(19)7-5-11/h4-10,16,25H,3H2,1-2H3,(H,23,24)(H2,20,21,22,26)/t10-,16-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199791
PNG
(US9226922, 427)
Show SMILES COCCOc1n[nH]c2cc(NC(=O)N[C@H]([C@H](C)O)c3ccc(F)cc3)ncc12 |r|
Show InChI InChI=1/C19H22FN5O4/c1-11(26)17(12-3-5-13(20)6-4-12)23-19(27)22-16-9-15-14(10-21-16)18(25-24-15)29-8-7-28-2/h3-6,9-11,17,26H,7-8H2,1-2H3,(H,24,25)(H2,21,22,23,27)/t11-,17+/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM199787
PNG
(US9226922, 423)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2cn1)c1ccccc1 |r|
Show InChI InChI=1/C19H21F2N5O4/c1-11(27)16(12-5-3-2-4-6-12)24-19(28)23-15-9-14-13(10-22-15)17(26-25-14)29-7-8-30-18(20)21/h2-6,9-11,16,18,27H,7-8H2,1H3,(H,25,26)(H2,22,23,24,28)/t11-,16-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair
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