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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 889   
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))
BDBM297349
PNG
(N-(6-((3-methyl-1-oxoisoindolin-5-yl)amino)pyrimid...)
Show SMILES CC1NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
Show InChI InChI=1S/C17H17N5O2/c1-9-13-6-11(4-5-12(13)17(24)20-9)21-14-7-15(19-8-18-14)22-16(23)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,24)(H2,18,19,21,22,23)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297373
PNG
(5-((6-aminopyrimidin-4-yl)amino)-7-chloro-3,3-dime...)
Show SMILES CC1(C)NC(=O)c2c1cc(Nc1cc(N)ncn1)cc2Cl
Show InChI InChI=1S/C14H14ClN5O/c1-14(2)8-3-7(4-9(15)12(8)13(21)20-14)19-11-5-10(16)17-6-18-11/h3-6H,1-2H3,(H,20,21)(H3,16,17,18,19)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297372
PNG
(N-(4-((1-methyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c...)
Show SMILES CC1NC(=O)c2cnc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
Show InChI InChI=1S/C17H17N5O2/c1-9-12-7-15(19-8-13(12)17(24)20-9)21-11-4-5-18-14(6-11)22-16(23)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,24)(H2,18,19,21,22,23)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297367
PNG
(5-(pyrimidin-4-ylamino)-3-(thiophen-3-yl)isoindoli...)
Show SMILES O=C1NC(c2ccsc2)c2cc(Nc3ccncn3)ccc12
Show InChI InChI=1S/C16H12N4OS/c21-16-12-2-1-11(19-14-3-5-17-9-18-14)7-13(12)15(20-16)10-4-6-22-8-10/h1-9,15H,(H,20,21)(H,17,18,19)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297365
PNG
(7-chloro-3-methyl-5-(pyrimidin-4-ylamino)isoindoli...)
Show SMILES CC1NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
Show InChI InChI=1S/C13H11ClN4O/c1-7-9-4-8(18-11-2-3-15-6-16-11)5-10(14)12(9)13(19)17-7/h2-7H,1H3,(H,17,19)(H,15,16,18)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297356
PNG
(N-(4-((3-methyl-1-oxoisoindolin-5-yl) amino) pyrid...)
Show SMILES CC1NC(=O)c2ccc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
Show InChI InChI=1S/C18H18N4O2/c1-10-15-8-12(4-5-14(15)18(24)20-10)21-13-6-7-19-16(9-13)22-17(23)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,24)(H2,19,21,22,23)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297351
PNG
(N-(6-((3-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)am...)
Show SMILES CC1CC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
Show InChI InChI=1S/C18H18N4O2/c1-10-6-15(23)13-5-4-12(7-14(10)13)21-16-8-17(20-9-19-16)22-18(24)11-2-3-11/h4-5,7-11H,2-3,6H2,1H3,(H2,19,20,21,22,24)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297366
PNG
(7-chloro-3,3-dimethyl-5-(pyrimidin-4-ylamino)isoin...)
Show SMILES CC1(C)NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
Show InChI InChI=1S/C14H13ClN4O/c1-14(2)9-5-8(18-11-3-4-16-7-17-11)6-10(15)12(9)13(20)19-14/h3-7H,1-2H3,(H,19,20)(H,16,17,18)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
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, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297344
PNG
(N-(6-((1-oxoisoindolin-5-yl)amino)pyrimidin-4-yl)a...)
Show SMILES CC(=O)Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
Show InChI InChI=1S/C14H13N5O2/c1-8(20)18-12-5-13(17-7-16-12)19-10-2-3-11-9(4-10)6-15-14(11)21/h2-5,7H,6H2,1H3,(H,15,21)(H2,16,17,18,19,20)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297346
PNG
(3-isopropyl-5-(pyrimidin-4-ylamino)isoindolin-1-on...)
Show SMILES CC(C)C1NC(=O)c2ccc(Nc3ccncn3)cc12
Show InChI InChI=1S/C15H16N4O/c1-9(2)14-12-7-10(3-4-11(12)15(20)19-14)18-13-5-6-16-8-17-13/h3-9,14H,1-2H3,(H,19,20)(H,16,17,18)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297368
PNG
(5-(7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yla...)
Show SMILES CC1NC(=O)c2ccc(Nc3ncnc4NCCOc34)cc12
Show InChI InChI=1S/C15H15N5O2/c1-8-11-6-9(2-3-10(11)15(21)19-8)20-14-12-13(17-7-18-14)16-4-5-22-12/h2-3,6-8H,4-5H2,1H3,(H,19,21)(H2,16,17,18,20)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297337
PNG
(5-((9H-purin-6-yl)amino)-2-methylisoindolin-1-one ...)
Show SMILES CN1Cc2cc(Nc3ncnc4[nH]cnc34)ccc2C1=O
Show InChI InChI=1S/C14H12N6O/c1-20-5-8-4-9(2-3-10(8)14(20)21)19-13-11-12(16-6-15-11)17-7-18-13/h2-4,6-7H,5H2,1H3,(H2,15,16,17,18,19)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297341
PNG
(5-((6-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4...)
Show SMILES Cn1cc(Nc2cc(Nc3ccc4C(=O)NCc4c3)ncn2)cn1
Show InChI InChI=1S/C16H15N7O/c1-23-8-12(7-20-23)22-15-5-14(18-9-19-15)21-11-2-3-13-10(4-11)6-17-16(13)24/h2-5,7-9H,6H2,1H3,(H,17,24)(H2,18,19,21,22)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297342
PNG
(3-methyl-5-(pyrimidin-4-ylamino)isoindolin-1-one (...)
Show SMILES CC1NC(=O)c2ccc(Nc3ccncn3)cc12
Show InChI InChI=1S/C13H12N4O/c1-8-11-6-9(2-3-10(11)13(18)16-8)17-12-4-5-14-7-15-12/h2-8H,1H3,(H,16,18)(H,14,15,17)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297343
PNG
(6-(pyrimidin-4-ylamino)-3,4-dihydroisoquinolin-1(2...)
Show SMILES O=C1NCCc2cc(Nc3ccncn3)ccc12
Show InChI InChI=1S/C13H12N4O/c18-13-11-2-1-10(7-9(11)3-6-15-13)17-12-4-5-14-8-16-12/h1-2,4-5,7-8H,3,6H2,(H,15,18)(H,14,16,17)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297336
PNG
(5-((9H-purin-6-yl)amino)isoindolin-1-one (Cpd. No....)
Show SMILES O=C1NCc2cc(Nc3ncnc4[nH]cnc34)ccc12
Show InChI InChI=1S/C13H10N6O/c20-13-9-2-1-8(3-7(9)4-14-13)19-12-10-11(16-5-15-10)17-6-18-12/h1-3,5-6H,4H2,(H,14,20)(H2,15,16,17,18,19)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297364
PNG
(3,7-dimethyl-5-(pyrimidin-4-ylamino)isoindolin-1-o...)
Show SMILES CC1NC(=O)c2c1cc(Nc1ccncn1)cc2C
Show InChI InChI=1S/C14H14N4O/c1-8-5-10(18-12-3-4-15-7-16-12)6-11-9(2)17-14(19)13(8)11/h3-7,9H,1-2H3,(H,17,19)(H,15,16,18)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297369
PNG
(5-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-ylamin...)
Show SMILES CC1NC(=O)c2ccc(Nc3ncnc4NCCc34)cc12
Show InChI InChI=1S/C15H15N5O/c1-8-12-6-9(2-3-10(12)15(21)19-8)20-14-11-4-5-16-13(11)17-7-18-14/h2-3,6-8H,4-5H2,1H3,(H,19,21)(H2,16,17,18,20)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297338
PNG
(5-(pyrimidin-4-ylamino)isoindolin-1-one (Cpd. No. ...)
Show SMILES O=C1NCc2cc(Nc3ccncn3)ccc12
Show InChI InChI=1S/C12H10N4O/c17-12-10-2-1-9(5-8(10)6-14-12)16-11-3-4-13-7-15-11/h1-5,7H,6H2,(H,14,17)(H,13,15,16)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297339
PNG
(5-((6-chloropyrimidin-4-yl)amino)isoindolin-1-one ...)
Show SMILES Clc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
Show InChI InChI=1S/C12H9ClN4O/c13-10-4-11(16-6-15-10)17-8-1-2-9-7(3-8)5-14-12(9)18/h1-4,6H,5H2,(H,14,18)(H,15,16,17)
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n/an/a 5.05E+3n/an/an/an/an/an/a



eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297355
PNG
(3-methyl-6-(pyrimidin-4-ylamino)-3, 4-dihydroisoqu...)
Show SMILES CC1Cc2cc(Nc3ccncn3)ccc2C(=O)N1
Show InChI InChI=1S/C14H14N4O/c1-9-6-10-7-11(2-3-12(10)14(19)17-9)18-13-4-5-15-8-16-13/h2-5,7-9H,6H2,1H3,(H,17,19)(H,15,16,18)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297354
PNG
(4-methyl-6-(pyrimidin-4-ylamino)-3,4-dihydroisoqui...)
Show SMILES CC1CNC(=O)c2ccc(Nc3ccncn3)cc12
Show InChI InChI=1S/C14H14N4O/c1-9-7-16-14(19)11-3-2-10(6-12(9)11)18-13-4-5-15-8-17-13/h2-6,8-9H,7H2,1H3,(H,16,19)(H,15,17,18)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297370
PNG
(3-(aminomethyl)-3-methyl-5-(pyrimidin-4-ylamino)is...)
Show SMILES CC1(CN)NC(=O)c2ccc(Nc3ccncn3)cc12
Show InChI InChI=1S/C14H15N5O/c1-14(7-15)11-6-9(2-3-10(11)13(20)19-14)18-12-4-5-16-8-17-12/h2-6,8H,7,15H2,1H3,(H,19,20)(H,16,17,18)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297340
PNG
(5-(pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-1-one...)
Show SMILES O=C1CCc2cc(Nc3ccncn3)ccc12
Show InChI InChI=1S/C13H11N3O/c17-12-4-1-9-7-10(2-3-11(9)12)16-13-5-6-14-8-15-13/h2-3,5-8H,1,4H2,(H,14,15,16)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM297347
PNG
(3,3-dimethyl-5-(pyrimidin-4-ylamino)isoindolin-1-o...)
Show SMILES CC1(C)NC(=O)c2ccc(Nc3ccncn3)cc12
Show InChI InChI=1S/C14H14N4O/c1-14(2)11-7-9(3-4-10(11)13(19)18-14)17-12-5-6-15-8-16-12/h3-8H,1-2H3,(H,18,19)(H,15,16,17)
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eFFECTOR Therapeutics, Inc.

US Patent


Assay Description
Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US10112955 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H5T
More data for this
Ligand-Target Pair