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Compile Data Set for Download or QSAR

Found 1568 hits with Last Name = 'ferguson' and Initial = 'rd'   
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))
BDBM157642
PNG
(US9023865, 483)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@H](CN)c3ccccc3)ncc12 |r|
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US Patent
n/an/a 0.152n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157165
PNG
(US9023865, 11)
Show SMILES C[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(F)cc1 |r|
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n/an/a 0.152n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM50437408
PNG
(CHEMBL2408790 | US9023865, 2)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 |r|
Show InChI InChI=1S/C26H28FN7O2/c1-16-11-17(8-9-28-16)25-19-13-29-24(12-22(19)32-33-25)31-26(35)30-18-5-4-10-34(14-18)15-20-21(27)6-3-7-23(20)36-2/h3,6-9,11-13,18H,4-5,10,14-15H2,1-2H3,(H,32,33)(H2,29,30,31,35)/t18-/m1/s1
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n/an/a 0.152n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM50437407
PNG
(CHEMBL2408789 | US9023865, 6)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20N6O/c1-13-10-16(8-9-22-13)20-17-12-23-19(11-18(17)26-27-20)25-21(28)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,26,27)(H2,23,24,25,28)/t14-/m1/s1
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n/an/a 0.152n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157225
PNG
(US9023865, 71)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(=O)n(C)c3)c2cn1)c1ccc(F)cc1 |r|
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n/an/a 0.159n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157778
PNG
(US9023865, 619)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3cccc(c3)S(C)(=O)=O)ncc12
Show InChI InChI=1S/C21H20N6O3S/c1-13-8-15(6-7-22-13)20-17-12-23-19(10-18(17)26-27-20)25-21(28)24-11-14-4-3-5-16(9-14)31(2,29)30/h3-10,12H,11H2,1-2H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.159n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157343
PNG
(US9023865, 184)
Show SMILES CN1C[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)[C@@H](C1)c1ccccc1F |r|
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n/an/a 0.171n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157706
PNG
(US9023865, 547)
Show SMILES COC[C@@H](NC(=O)Nc1ncc2c(n[nH]c2c1F)-c1ccncc1)c1ccccc1 |r|
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n/an/a 0.184n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157739
PNG
(US9023865, 580)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@@H]3COC[C@H]3c3ccccc3)ncc12 |r|
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n/an/a 0.193n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM272794
PNG
(6-bromo-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-py...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C16H11BrN4O/c1-8-4-9(2-3-18-8)15-11-5-10-6-12(17)16(22)19-13(10)7-14(11)20-21-15/h2-7H,1H3,(H,19,22)(H,20,21)
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n/an/a 0.200n/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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM272795
PNG
(6-benzyl-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-p...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C23H18N4O/c1-14-9-16(7-8-24-14)22-19-12-17-11-18(10-15-5-3-2-4-6-15)23(28)25-20(17)13-21(19)26-27-22/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
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n/an/a 0.200n/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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50437407
PNG
(CHEMBL2408789 | US9023865, 6)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20N6O/c1-13-10-16(8-9-22-13)20-17-12-23-19(11-18(17)26-27-20)25-21(28)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,26,27)(H2,23,24,25,28)/t14-/m1/s1
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n/an/a 0.204n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157164
PNG
(US9023865, 10)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NC(CO)c3ccccc3)ncc12
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n/an/a 0.215n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157340
PNG
(BDBM157741 | US9023865, 181)
Show SMILES CN1C[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)[C@@H](C1)c1ccccc1 |r|
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n/an/a 0.217n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157856
PNG
(US9023865, 697)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nnn(C)c4c3)c2cn1)c1ccccc1 |r|
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n/an/a 0.221n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM50437406
PNG
(CHEMBL2408788 | US9023865, 9)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccccc3)ncc12
Show InChI InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27)
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n/an/a 0.222n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157483
PNG
(US9023865, 324)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(F)cc1 |r|
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n/an/a 0.223n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157810
PNG
(US9023865, 651)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1)c1ccccc1 |r|
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n/an/a 0.223n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157520
PNG
(US9023865, 361)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NC(CN)c3ccccc3)ncc12
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n/an/a 0.232n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157740
PNG
(US9023865, 581)
Show SMILES CN1C[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)[C@@H](C1)c1cccc(Cl)c1 |r|
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n/an/a 0.233n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157340
PNG
(BDBM157741 | US9023865, 181)
Show SMILES CN1C[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)[C@@H](C1)c1ccccc1 |r|
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n/an/a 0.234n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157249
PNG
(US9023865, 95)
Show SMILES C[C@@H](NC(=O)Nc1ncc2c(n[nH]c2c1F)-c1ccnc(C)c1)c1ccccc1 |r|
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n/an/a 0.235n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157704
PNG
(US9023865, 545)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccncc3)c2cn1)c1ccccc1 |r|
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n/an/a 0.236n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157207
PNG
(US9023865, 53)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3cccc(F)c3)ncc12
Show InChI InChI=1S/C20H17FN6O/c1-12-7-14(5-6-22-12)19-16-11-23-18(9-17(16)26-27-19)25-20(28)24-10-13-3-2-4-15(21)8-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.245n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157795
PNG
(US9023865, 636)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccccc1 |r|
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n/an/a 0.251n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157214
PNG
(US9023865, 60)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12
Show InChI InChI=1S/C18H15ClFN7O/c1-27-9-11(7-23-27)17-12-8-21-16(5-15(12)25-26-17)24-18(28)22-6-10-2-3-14(20)13(19)4-10/h2-5,7-9H,6H2,1H3,(H,25,26)(H2,21,22,24,28)
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n/an/a 0.251n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157729
PNG
(US9023865, 570)
Show SMILES CSC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r|
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n/an/a 0.257n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157712
PNG
(US9023865, 553)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@H]([C@H]3CCCO3)c3ccccc3)ncc12 |r|
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n/an/a 0.260n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157713
PNG
(US9023865, 554)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@H]([C@@H]3CCCO3)c3ccccc3)ncc12 |r|
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n/an/a 0.262n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157701
PNG
(US9023865, 542)
Show SMILES COC[C@@H](NC(=O)Nc1ncc2c(n[nH]c2c1F)-c1ccnc(C)c1)c1ccccc1 |r|
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n/an/a 0.269n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157702
PNG
(US9023865, 543)
Show SMILES COC[C@@H](NC(=O)Nc1ncc2c(n[nH]c2c1F)-c1ccnc(F)c1)c1ccccc1 |r|
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n/an/a 0.272n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50437408
PNG
(CHEMBL2408790 | US9023865, 2)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 |r|
Show InChI InChI=1S/C26H28FN7O2/c1-16-11-17(8-9-28-16)25-19-13-29-24(12-22(19)32-33-25)31-26(35)30-18-5-4-10-34(14-18)15-20-21(27)6-3-7-23(20)36-2/h3,6-9,11-13,18H,4-5,10,14-15H2,1-2H3,(H,32,33)(H2,29,30,31,35)/t18-/m1/s1
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n/an/a 0.286n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157521
PNG
(US9023865, 362)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@H](CO)c3cccc4cc[nH]c34)ncc12 |r|
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n/an/a 0.288n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157641
PNG
(US9023865, 482)
Show SMILES CN(C)C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r|
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n/an/a 0.290n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157185
PNG
(US9023865, 31)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(C)c3)c2cn1)c1ccccc1 |r|
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n/an/a 0.290n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157688
PNG
(US9023865, 529)
Show SMILES COc1ccccc1CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1
Show InChI InChI=1S/C21H20N6O2/c1-13-9-14(7-8-22-13)20-16-12-23-19(10-17(16)26-27-20)25-21(28)24-11-15-5-3-4-6-18(15)29-2/h3-10,12H,11H2,1-2H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.293n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157173
PNG
(US9023865, 19)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(Cl)cc1 |r|
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n/an/a 0.296n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157772
PNG
(US9023865, 613)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1)c1ccccc1 |r|
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n/an/a 0.297n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM157697
PNG
(US9023865, 538)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.298n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337289
PNG
((R)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)-6-...)
Show SMILES C[C@@H](N1Cc2cc(C(=N)c3ccc4nnn(C)c4c3)c(N)cc2NC1=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H23N7O/c1-14(15-6-4-3-5-7-15)31-13-17-10-18(19(25)12-21(17)27-24(31)32)23(26)16-8-9-20-22(11-16)30(2)29-28-20/h3-12,14,26H,13,25H2,1-2H3,(H,27,32)/t14-/m1/s1
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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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272790
PNG
(US10065967, Example 41 | US10759805, Ex 41 | US974...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(F)c1)c1ccccc1 |r|
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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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272554
PNG
(US10065967, Example 20 | US10301317, Example 2 | U...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1 |r|
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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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272544
PNG
((R)-6-(1-(4-fluorophenyl)ethyl)-3-(2-methylpyridin...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1 |r|
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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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272541
PNG
(US10065967, Example 7 | US10759805, Ex 7 | US97453...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C21H17N5O/c1-26-12-16(11-22-26)20-17-9-14-8-15(7-13-5-3-2-4-6-13)21(27)23-18(14)10-19(17)24-25-20/h2-6,8-12H,7H2,1H3,(H,23,27)(H,24,25)
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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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272540
PNG
(US10065967, Example 6 | US10759805, Ex 6 | US97453...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C14H10BrN5O/c1-20-6-8(5-16-20)13-9-2-7-3-10(15)14(21)17-11(7)4-12(9)18-19-13/h2-6H,1H3,(H,17,21)(H,18,19)
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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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272538
PNG
(3-(1-methyl-1H-pyrazol-4-yl)-1,8-dihydro-7H-pyrazo...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)ccc3cc12
Show InChI InChI=1S/C14H11N5O/c1-19-7-9(6-15-19)14-10-4-8-2-3-13(20)16-11(8)5-12(10)17-18-14/h2-7H,1H3,(H,16,20)(H,17,18)
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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 US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272538
PNG
(3-(1-methyl-1H-pyrazol-4-yl)-1,8-dihydro-7H-pyrazo...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)ccc3cc12
Show InChI InChI=1S/C14H11N5O/c1-19-7-9(6-15-19)14-10-4-8-2-3-13(20)16-11(8)5-12(10)17-18-14/h2-7H,1H3,(H,16,20)(H,17,18)
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UniChem
US Patent
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 US10065967 (2018)


BindingDB Entry DOI: 10.7270/Q2CF9S47
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272540
PNG
(US10065967, Example 6 | US10759805, Ex 6 | US97453...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C14H10BrN5O/c1-20-6-8(5-16-20)13-9-2-7-3-10(15)14(21)17-11(7)4-12(9)18-19-13/h2-6H,1H3,(H,17,21)(H,18,19)
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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 US10065967 (2018)


BindingDB Entry DOI: 10.7270/Q2CF9S47
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272541
PNG
(US10065967, Example 7 | US10759805, Ex 7 | US97453...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C21H17N5O/c1-26-12-16(11-22-26)20-17-9-14-8-15(7-13-5-3-2-4-6-13)21(27)23-18(14)10-19(17)24-25-20/h2-6,8-12H,7H2,1H3,(H,23,27)(H,24,25)
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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 US10065967 (2018)


BindingDB Entry DOI: 10.7270/Q2CF9S47
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272544
PNG
((R)-6-(1-(4-fluorophenyl)ethyl)-3-(2-methylpyridin...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1 |r|
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
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 US10065967 (2018)


BindingDB Entry DOI: 10.7270/Q2CF9S47
More data for this
Ligand-Target Pair
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