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Compile Data Set for Download or QSAR

Found 1403 hits of ic50 data for polymerid = 3672   
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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550562
PNG
(8′-Methyl-6′-(thieno[2,3-d]pyrimidin-4...)
Show SMILES Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCCC1
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50573219
PNG
(CHEMBL4879010)
Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(cc3)C#N)c2n1
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MKN1 (unknown origin) in presence of ATP by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01084
BindingDB Entry DOI: 10.7270/Q2CV4NJ6
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550561
PNG
(8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550512
PNG
(8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550512
PNG
(8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550654
PNG
(8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550702
PNG
(8-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCSCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM168214
PNG
(US9669031, 207 6′-((6-aminopyrimidin-4-yl)am...)
Show SMILES Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Show InChI InChI=1S/C20H21ClN6O3/c21-12-8-13(24-14-9-15(23-10-22-14)25-17(28)11-4-5-11)19(30)27-16(12)18(29)26-20(27)6-2-1-3-7-20/h8-11H,1-7H2,(H,26,29)(H2,22,23,24,25,28)
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eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550534
PNG
(6′-({6-[(3-Aminoazetidin-1-yl)carbonyl]thien...)
Show SMILES Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50263269
PNG
(CHEMBL4076439)
Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
Show InChI InChI=1S/C16H17ClN6O2/c17-9-6-10(21-12-7-11(18)19-8-20-12)15(25)23-13(9)14(24)22-16(23)4-2-1-3-5-16/h6-8H,1-5H2,(H,22,24)(H3,18,19,20,21)
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eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550638
PNG
(3,3,8-Trimethyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC2(C)C
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550573
PNG
(8′-methyl-6′-(9H-purin-6-ylamino)-2...)
Show SMILES Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550596
PNG
(4,4-Difluoro-8′-methyl-6′-(7H-pyrrolo[...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50263254
PNG
(CHEMBL4094975)
Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1
Show InChI InChI=1S/C15H15ClN6O2/c16-8-5-9(20-11-6-10(17)18-7-19-11)14(24)22-12(8)13(23)21-15(22)3-1-2-4-15/h5-7H,1-4H2,(H,21,23)(H3,17,18,19,20)
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eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50587868
PNG
(CHEMBL5201681)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ccnc2[nH]c(cc12)S(=O)(=O)c1ccc(C)cc1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113420
BindingDB Entry DOI: 10.7270/Q20Z777Z
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50042938
PNG
(CHEMBL3355002)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCCCS(C)(=O)=O
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay


ACS Med Chem Lett 6: 9-10 (2015)


Article DOI: 10.1021/ml5003025
BindingDB Entry DOI: 10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50587869
PNG
(CHEMBL5174006)
Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2[nH]cc(F)c12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113420
BindingDB Entry DOI: 10.7270/Q20Z777Z
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50042936
PNG
(CHEMBL3355000)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCc1ccccc1
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay


ACS Med Chem Lett 6: 9-10 (2015)


Article DOI: 10.1021/ml5003025
BindingDB Entry DOI: 10.7270/Q2BP04DN
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM333402
PNG
(2-{[3-(Furo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyrid...)
Show SMILES CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4cnccc4o3)n2n1 |w:3.3|
Show InChI InChI=1S/C22H19N5O2/c1-26(14-18(28)15-5-3-2-4-6-15)22-8-7-21-24-13-17(27(21)25-22)20-11-16-12-23-10-9-19(16)29-20/h2-13,18,28H,14H2,1H3
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM333401
PNG
(2-{[3-(Furo[2,3-c]pyridin-2-yl)imidazo[1,2-b]pyrid...)
Show SMILES CN(CC(O)c1ccccc1)c1ccc2ncc(-c3cc4ccncc4o3)n2n1 |w:3.3|
Show InChI InChI=1S/C22H19N5O2/c1-26(14-18(28)15-5-3-2-4-6-15)22-8-7-21-24-12-17(27(21)25-22)19-11-16-9-10-23-13-20(16)29-19/h2-13,18,28H,14H2,1H3
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550634
PNG
(4-Hydroxy-8′-methyl-6′-(7H-pyrrolo[2,3...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(O)(CC1)C(F)(F)F |(.54,4.57,;.54,3.03,;-.79,2.26,;-.79,.72,;-2.12,-.05,;-3.46,.72,;-3.46,2.26,;-4.79,3.03,;-6.12,2.26,;-6.12,.72,;-7.27,-.31,;-6.64,-1.72,;-5.11,-1.56,;-4.79,-.05,;.54,-.05,;.54,-1.59,;1.88,.72,;1.88,2.26,;3.34,2.74,;3.82,4.2,;4.25,1.49,;3.34,.24,;2.31,-.9,;2.79,-2.36,;4.29,-2.68,;3.21,-3.77,;5.32,-1.54,;4.85,-.08,;5.78,-3.08,;7.27,-3.48,;6.87,-1.99,;6.18,-4.57,)|
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50573222
PNG
(CHEMBL4869634)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
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TBA

Assay Description
Inhibition of wild type human full length MKN1 (M1 to L424) expressed in mammalian expression system by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01084
BindingDB Entry DOI: 10.7270/Q2CV4NJ6
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50573222
PNG
(CHEMBL4869634)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
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TBA

Assay Description
Inhibition of MKN1 (unknown origin) in presence of ATP by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01084
BindingDB Entry DOI: 10.7270/Q2CV4NJ6
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50573221
PNG
(CHEMBL4859971)
Show SMILES COc1cc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)ccc1F
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TBA

Assay Description
Inhibition of MKN1 (unknown origin) in presence of ATP by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01084
BindingDB Entry DOI: 10.7270/Q2CV4NJ6
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50573217
PNG
(CHEMBL4876307)
Show SMILES Fc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
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TBA

Assay Description
Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contracti...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550596
PNG
(4,4-Difluoro-8′-methyl-6′-(7H-pyrrolo[...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550704
PNG
(8-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCS(=O)(=O)CC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550684
PNG
(8-methyl-6-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CSC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50573217
PNG
(CHEMBL4876307)
Show SMILES Fc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
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TBA

Assay Description
Inhibition of MKN1 (unknown origin) in presence of ATP by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01084
BindingDB Entry DOI: 10.7270/Q2CV4NJ6
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550596
PNG
(4,4-Difluoro-8′-methyl-6′-(7H-pyrrolo[...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50573220
PNG
(CHEMBL4857156)
Show SMILES COc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
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TBA

Assay Description
Inhibition of MKN1 (unknown origin) in presence of ATP by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01084
BindingDB Entry DOI: 10.7270/Q2CV4NJ6
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50263255
PNG
(CHEMBL4065802)
Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Show InChI InChI=1S/C17H18F2N6O2/c1-9-6-10(23-12-7-11(20)21-8-22-12)15(27)25-13(9)14(26)24-17(25)4-2-16(18,19)3-5-17/h6-8H,2-5H2,1H3,(H,24,26)(H3,20,21,22,23)
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eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550530
PNG
(8′-methyl-6′-(9H-purin-6-ylamino)-2...)
Show SMILES Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550580
PNG
(6′-({6-[(3-Aminoazetidin-1-yl)carbonyl]thien...)
Show SMILES Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50500931
PNG
(CHEMBL3797873)
Show SMILES C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|
Show InChI InChI=1S/C26H30N8O/c1-16-15-34(12-11-28-16)21-10-6-9-19-23(21)33(4)25(31-19)22-24(27)29-14-20(30-22)17-7-5-8-18(13-17)26(35)32(2)3/h5-10,13-14,16,28H,11-12,15H2,1-4H3,(H2,27,29)/t16-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 2 hrs by HTRF assay


J Med Chem 59: 3034-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01657
BindingDB Entry DOI: 10.7270/Q2RB77MH
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50263264
PNG
(CHEMBL4094080)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r,wU:3.5,wD:1.0,(36.72,-33.01,;35.21,-33.32,;33.93,-32.47,;33.08,-33.76,;34.37,-34.61,;31.57,-34.07,;30.55,-32.92,;29.04,-33.23,;28.03,-32.08,;28.51,-30.62,;27.74,-29.3,;28.77,-28.15,;30.18,-28.78,;31.51,-28.01,;31.51,-26.46,;32.84,-25.69,;34.17,-26.46,;35.5,-25.68,;36.83,-26.44,;36.84,-27.99,;35.51,-28.77,;34.17,-28,;32.84,-28.78,;30.01,-30.31,;31.04,-31.45,)|
Show InChI InChI=1S/C19H17N5O/c20-15-8-16(9-15)25-19-4-3-18-22-11-17(24(18)23-19)13-1-2-14-10-21-6-5-12(14)7-13/h1-7,10-11,15-16H,8-9,20H2/t15-,16-
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eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM168222
PNG
(US9669031, 51 N-[6-[[8-chloro-3-(3-chlorophenyl)-3...)
Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1
Show InChI InChI=1S/C22H18Cl2N6O3/c1-22(12-3-2-4-13(23)7-12)29-20(32)18-14(24)8-15(21(33)30(18)22)27-16-9-17(26-10-25-16)28-19(31)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,29,32)(H2,25,26,27,28,31)
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eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550574
PNG
(8′-methyl-6′-(1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCC1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297345
PNG
(N-(6-((1-oxoisoindolin-5-yl)amino)pyrimidin-4-yl)c...)
Show SMILES O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1
Show InChI InChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550548
PNG
(8′-Methyl-6′-[(6-{[(1R,4R)-5-methyl-2,...)
Show SMILES CN1C[C@H]2C[C@@H]1CN2C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r|
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550531
PNG
(N-[2-(Dimethylamino)ethyl]-4-[(8′-methyl-1&#...)
Show SMILES CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1
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TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297345
PNG
(N-(6-((1-oxoisoindolin-5-yl)amino)pyrimidin-4-yl)c...)
Show SMILES O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1
Show InChI InChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22)
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eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50500936
PNG
(CHEMBL3798762)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C
Show InChI InChI=1S/C25H28N8O/c1-31(2)25(34)17-7-4-6-16(14-17)19-15-28-23(26)21(29-19)24-30-18-8-5-9-20(22(18)32(24)3)33-12-10-27-11-13-33/h4-9,14-15,27H,10-13H2,1-3H3,(H2,26,28)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 2 hrs by HTRF assay


J Med Chem 59: 3034-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01657
BindingDB Entry DOI: 10.7270/Q2RB77MH
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50263263
PNG
(CHEMBL4073443)
Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Show InChI InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MNK1 (unknown origin) expressed in HEK293 cells assessed as decrease in eIF4E phosphorylation at Ser209 residues by Western blot analys...


Eur J Med Chem 163: 413-427 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.072
BindingDB Entry DOI: 10.7270/Q2736V7K
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM333390
PNG
(2-{[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6...)
Show SMILES CN(CC(O)c1cccnc1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:3.3|
Show InChI InChI=1S/C22H19N5O2/c1-26(14-18(28)16-6-4-10-23-12-16)22-9-8-21-24-13-17(27(21)25-22)20-11-15-5-2-3-7-19(15)29-20/h2-13,18,28H,14H2,1H3
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM333382
PNG
(3-[(1R)-1-{[3-(1- Benzofuran-2- yl)imidazo[1,2-b]p...)
Show SMILES CN(C[C@H](O)c1cccc(O)c1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1S/C23H20N4O3/c1-26(14-19(29)15-6-4-7-17(28)11-15)23-10-9-22-24-13-18(27(22)25-23)21-12-16-5-2-3-8-20(16)30-21/h2-13,19,28-29H,14H2,1H3/t19-/m0/s1
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9730929 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S1H
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550513
PNG
(8′-Methyl-6′-(1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCCC1
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US Patent
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550665
PNG
(8′-Methyl-6′-(9H-purin-6-ylamino)-2...)
Show SMILES Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCC1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50263253
PNG
(CHEMBL4067557)
Show SMILES CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12
Show InChI InChI=1S/C13H13ClN6O2/c1-13(2)19-11(21)10-6(14)3-7(12(22)20(10)13)18-9-4-8(15)16-5-17-9/h3-5H,1-2H3,(H,19,21)(H3,15,16,17,18)
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Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States.

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...


J Med Chem 61: 3516-3540 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01795
BindingDB Entry DOI: 10.7270/Q2NC63PS
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM550655
PNG
(8′-Methyl-6′-(thieno[2,3-d]pyrimidin-4...)
Show SMILES Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCC1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W9T
More data for this
Ligand-Target Pair
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