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Patent code US10065967

Compile Data Set for Download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
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))
BDBM272541
PNG
(US10065967, Example 7)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C21H15N5O/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
PDB
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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)

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
PDB
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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)

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/C14H9N5O/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
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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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272540
PNG
(US10065967, Example 6)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C14H8BrN5O/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
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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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272554
PNG
(US10065967, Example 20)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
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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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272790
PNG
(US10065967, Example 41)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(F)c1)c1ccccc1
PDB
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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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272560
PNG
((R)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)-6-...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccc2nnn(C)c2c1)c1ccccc1
PDB
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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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272548
PNG
(US10065967, Example 14)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc4ccccc4)Cc3cc12
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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 determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272563
PNG
(US10065967, Example 28)
Show SMILES COc1ncc(cn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272547
PNG
(3-(2-methylpyridin-4-yl)-5,6-dihydro-1H-pyrazolo[4...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)NCc3cc12
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272555
PNG
(US10065967, Example 21)
Show SMILES Cc1cccc(CN2Cc3cc4c(n[nH]c4cc3NC2=O)-c2ccnc(C)c2)n1
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272551
PNG
(US10065967, Example 17)
Show SMILES COC[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
PDB
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n/an/a 0.700n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272552
PNG
(US10065967, Example 18)
Show SMILES COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
PDB
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n/an/a 0.800n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272549
PNG
((R)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)-6-...)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccc5nnn(C)c5c4)c3cc2c1=O
Show InChI InChI=1S/C24H17N7O2/c1-13(14-6-4-3-5-7-14)31-23(32)17-11-16-20(12-19(17)25-24(31)33)26-28-22(16)15-8-9-18-21(10-15)30(2)29-27-18/h3-13H,1-2H3/t13-/m1/s1
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n/an/a 1.70n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272570
PNG
(US10065967, Example 34)
Show SMILES C[C@@H](N1Cc2cc3c(NC(C)=O)n[nH]c3cc2NC1=O)c1ccccc1
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272553
PNG
(US10065967, Example 19)
Show SMILES COc1ccccc1CCN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
PDB
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n/an/a 2.30n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272542
PNG
(8-hydroxy-3-(2-methylpyridin-4-yl)-5,6-dihydro-1H-...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3N(O)C(=O)CCc3cc12
PDB
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n/an/a 3.60n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272557
PNG
(US10065967, Example 23)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccnc(C)c4)c3cc2c1=O
Show InChI InChI=1S/C23H17N5O2/c1-13-10-16(8-9-24-13)21-17-11-18-19(12-20(17)26-27-21)25-23(30)28(22(18)29)14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3/t14-/m1/s1
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n/an/a 3.70n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272550
PNG
(US10065967, Example 16)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)C1CCCOc2ccccc12
PDB
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n/an/a 4.80n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272569
PNG
((R)-methyl (7-oxo-6-(1-phenylethyl)-5,6,7,8-tetrah...)
Show SMILES COC(=O)Nc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
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n/an/a 5.20n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272576
PNG
(US10065967, Example 36)
Show SMILES COCCOc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272791
PNG
((R)-3-morpholino-6-(1-phenylethyl)-5,6-dihydro-1H-...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)N1CCOCC1)c1ccccc1
PDB
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n/an/a 9n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272788
PNG
(US10065967, Example 39)
Show SMILES C[C@@H](N1Cc2cc3c(OC4CCOCC4)n[nH]c3cc2NC1=O)c1ccccc1
PDB
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n/an/a 10n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272561
PNG
(US10065967, Example 27)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccc(nc1)C#N)c1ccccc1
PDB
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n/an/a 10n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272558
PNG
(3-morpholino-1-pyrazolo[4,3-g]quinolin-7(8H)-one |...)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C14H12N4O2/c19-13-2-1-9-7-10-12(8-11(9)15-13)16-17-14(10)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
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n/an/a 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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272786
PNG
(US10065967, Example 37)
Show SMILES C[C@@H](N1Cc2cc3c(OCCO)n[nH]c3cc2NC1=O)c1ccccc1
PDB
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n/an/a 20n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272787
PNG
(6-((R)-1-phenylethyl)-3-((tetrahydrofuran-3-yl)oxy...)
Show SMILES C[C@@H](N1Cc2cc3c(OC4CCOC4)n[nH]c3cc2NC1=O)c1ccccc1
PDB
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n/an/a 21n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272568
PNG
((R)-3-amino-6-(1-phenylethyl)-5,6-dihydro-1H-pyraz...)
Show SMILES C[C@@H](N1Cc2cc3c(N)n[nH]c3cc2NC1=O)c1ccccc1
PDB
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n/an/a 21n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272565
PNG
((R)-3-(ethylamino)-6-(1-phenylethyl)-5,6-dihydro-1...)
Show SMILES CCNc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
PDB
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n/an/a 22n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272789
PNG
((R)-3-cyclopropyl-6-(1-phenylethyl)-5,6-dihydro-1H...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)C1CC1)c1ccccc1
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n/an/a 24n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272556
PNG
(US10065967, Example 22)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@@H]1CCCCc2ccccc12
PDB
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n/an/a 24n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272566
PNG
(US10065967, Example 30)
Show SMILES C[C@H](Nc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1)C(F)(F)F
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272559
PNG
(US10065967, Example 25)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C15H14N4O/c20-14-5-4-10-8-11-13(9-12(10)16-14)17-18-15(11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272792
PNG
(US10065967, Example 43)
Show SMILES C[C@@H](N1Cc2cc3c(I)n[nH]c3cc2NC1=O)c1ccccc1
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272567
PNG
(US10065967, Example 31)
Show SMILES C[C@@H](N1Cc2cc3cn[nH]c3cc2NC1=O)c1ccccc1
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272546
PNG
((R)-7-(1-(4-fluorophenyl)ethyl)-3-(2-methyl pyridi...)
Show SMILES C[C@@H](N1CCc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272575
PNG
(US10065967, Example 35)
Show SMILES COc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
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/C16H9BrN4O/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
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
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/C23H16N4O/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
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n/an/a 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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272539
PNG
(US10065967, Example 5)
Show SMILES O=c1ccc2cc3cn[nH]c3cc2[nH]1
Show InChI InChI=1S/C10H5N3O/c14-10-2-1-6-3-7-5-11-13-9(7)4-8(6)12-10/h1-5H
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272543
PNG
(3-(2-methylpyridin-4-yl)-5,6,7,9-tetrahydroazepino...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)CCCc3cc12
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
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/C16H10N4O/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
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272545
PNG
(7-(4-fluorobenzyl)-9-hydroxy-3-(2-methylpyridin-4-...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3N(O)C(=O)N(Cc4ccc(F)cc4)CCc3cc12
PDB
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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 US10065967 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%