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Compile Data Set for Download or QSAR

Found 629 hits of ic50 data for polymerid = 5639,943   
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


(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


(Rattus norvegicus (rat))
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 0.200n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay


J Med Chem 59: 6501-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Rattus norvegicus (rat))
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 0.200n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay


J Med Chem 59: 6501-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


(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))
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


(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


(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


(Mus musculus (Mouse))
BDBM203329
PNG
(US9242981, 61)
Show SMILES Cn1c(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)cc2ccccc12 |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 also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM272793
PNG
(3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-pyrazolo[4...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)ccc3cc12
Show InChI InChI=1S/C16H12N4O/c1-9-6-11(4-5-17-9)16-12-7-10-2-3-15(21)18-13(10)8-14(12)19-20-16/h2-8H,1H3,(H,18,21)(H,19,20)
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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 US9745307 (2017)


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


(Mus musculus (Mouse))
BDBM157180
PNG
(US9023865, 26)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccc(Cl)cc3)ncc12
Show InChI InChI=1S/C20H17ClN6O/c1-12-8-14(6-7-22-12)19-16-11-23-18(9-17(16)26-27-19)25-20(28)24-10-13-2-4-15(21)5-3-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.457n/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))
BDBM203325
PNG
(US9242981, 57)
Show SMILES O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r|
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n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Rattus norvegicus (rat))
BDBM157161
PNG
(US9023865, 5)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12
Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.5n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay


J Med Chem 59: 6501-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Rattus norvegicus (rat))
BDBM157161
PNG
(US9023865, 5)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12
Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.5n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay


J Med Chem 59: 6501-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157161
PNG
(US9023865, 5)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12
Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.502n/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))
BDBM157163
PNG
(US9023865, 8)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccc(Cl)c(Cl)c3)ncc12
Show InChI InChI=1S/C20H16Cl2N6O/c1-11-6-13(4-5-23-11)19-14-10-24-18(8-17(14)27-28-19)26-20(29)25-9-12-2-3-15(21)16(22)7-12/h2-8,10H,9H2,1H3,(H,27,28)(H2,24,25,26,29)
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n/an/a 0.516n/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))
BDBM157174
PNG
(US9023865, 20)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C3=CCOCC3)c2cn1)c1ccccc1 |r,t:12|
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n/an/a 0.537n/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))
BDBM154612
PNG
(US8999957, Column 165-167, Compound 1)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NOCC1CC1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each comp...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203319
PNG
(US9242981, 48)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r|
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n/an/a 0.650n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103302
PNG
(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203317
PNG
(US9242981, 46)
Show SMILES CN1C[C@@H](NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)[C@@H](C1)c1ccccc1C |r|
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n/an/a 0.890n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157176
PNG
(US9023865, 22)
Show SMILES CCCc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 |r|
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n/an/a 0.919n/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))
BDBM154874
PNG
(US8999957, Table 3, Compound 147)
Show SMILES CNC(=S)NNC(=O)[C@@H]1CC[C@H](CN1Cc1c(F)cccc1OC)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154863
PNG
(US8999957, Table 3, Compound 136)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(N)=O)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154864
PNG
(US8999957, Table 3, Compound 137)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NN)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
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n/an/a 1.10n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
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n/an/a 1.10n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154613
PNG
(US8999957, Column 165-167, Compound 2)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)N1CC(C)(O)C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each comp...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157160
PNG
(US9023865, 4)
Show SMILES COc1cccc(F)c1CN1CCCC(C1)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1
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n/an/a 1.12n/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))
BDBM203308
PNG
(US9242981, 37)
Show SMILES O=C(N[C@H]1CNC[C@@H]1c1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r|
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n/an/a 1.16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157168
PNG
(US9023865, 14)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3cccnc3)ncc12
Show InChI InChI=1S/C19H17N7O/c1-12-7-14(4-6-21-12)18-15-11-22-17(8-16(15)25-26-18)24-19(27)23-10-13-3-2-5-20-9-13/h2-9,11H,10H2,1H3,(H,25,26)(H2,22,23,24,27)
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n/an/a 1.16n/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))
BDBM203328
PNG
(US9242981, 60)
Show SMILES Cn1cc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c2ccccc12 |r|
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n/an/a 1.24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154592
PNG
(US8999957, Column 143, Compound 1)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(C3=CCOCC3)c2c1 |r,t:28|
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each comp...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154614
PNG
(US8999957, Column 165-167, Compound 3)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NC[C@H]1CC[C@H](O)C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each comp...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154897
PNG
(US8999957, Table 4, Compound 2)
Show SMILES CN1CC(Cc2c(F)cccc2F)CC(C1)NC(=O)c1ccc2[nH]nc(-c3ccc4nn(C)cc4c3)c2c1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154900
PNG
(US8999957, Table 4, Compound 5)
Show SMILES CN1C[C@@H](Cc2c(F)cccc2F)C[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4nc(C)nn4c3)c2c1 |r|
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n/an/a 1.45n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154617
PNG
(US8999957, Column 165-167, Compound 6)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NC[C@@H]1CC[C@@H](O)C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each comp...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203447
PNG
(US9242981, 145)
Show SMILES CN1CC(NC(=O)N2CCc3[nH]nc(c3C2)-c2ccc3OCCc3c2)C(C1)c1ccccc1C
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n/an/a 1.52n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154902
PNG
(US8999957, Table 4, Compound 7)
Show SMILES CN1C[C@H](Cc2c(F)cccc2F)C[C@@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccn4ccnc4c3)c2c1 |r|
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n/an/a 1.59n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154822
PNG
(US8999957, Table 3, Compound 94)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(N)=O)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203327
PNG
(US9242981, 59)
Show SMILES Cc1ccc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)s1 |r|
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n/an/a 1.78n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203448
PNG
(US9242981, 147)
Show SMILES CCn1cc(cn1)-c1n[nH]c2CCN(Cc12)C(=O)NC1CN(C)CC1c1ccccc1C
PDB
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203322
PNG
(US9242981, 54)
Show SMILES Fc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r|
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n/an/a 1.97n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203326
PNG
(US9242981, 58)
Show SMILES Cc1ccsc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r|
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n/an/a 1.98n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM233415
PNG
(US9351965, 22)
Show SMILES COc1cccc(F)c1C[C@@]1(O)CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r|
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 1...


US Patent US9351965 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M11
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203330
PNG
(US9242981, 62)
Show SMILES CC(=O)n1cc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c2ccccc12 |r|
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n/an/a 2.01n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203339
PNG
(US9242981, 71)
Show SMILES Cc1cccc(C)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r|
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US Patent
n/an/a 2.07n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was added to 14 &#...


US Patent US9242981 (2016)


BindingDB Entry DOI: 10.7270/Q2GM864G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103295
PNG
(US8546404, 462)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r|
Show InChI InChI=1S/C35H35FN8O3/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1
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Similars

US Patent
n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
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