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Compile Data Set for Download or QSAR

Found 10 hits of ph data with Target = 'MAP kinase-interacting serine/threonine-protein kinase MNK1'   
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 MNK1


(Homo sapiens (human))
BDBM98032
PNG
(US8486953, 2)
Show SMILES CCOc1cc(ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(N)=O
Show InChI InChI=1S/C17H17N5O3S/c1-3-25-11-6-9(14(18)23)4-5-10(11)22-16-12-8(2)13(15(19)24)26-17(12)21-7-20-16/h4-7H,3H2,1-2H3,(H2,18,23)(H2,19,24)(H,20,21,22)
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n/an/a 120n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98033
PNG
(US8486953, 6)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
Show InChI InChI=1S/C22H25FN4O4S/c1-13-18-20(25-12-26-22(18)32-19(13)21(28)24-7-10-29-2)27-16-4-3-14(23)11-17(16)31-15-5-8-30-9-6-15/h3-4,11-12,15H,5-10H2,1-2H3,(H,24,28)(H,25,26,27)
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n/an/a 180n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98034
PNG
(US8486953, 9)
Show SMILES CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
Show InChI InChI=1S/C24H30FN5O3S/c1-15-20-22(27-14-28-24(20)34-21(15)23(31)26-9-4-10-30(2)3)29-18-6-5-16(25)13-19(18)33-17-7-11-32-12-8-17/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,26,31)(H,27,28,29)
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n/an/a 100n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98035
PNG
(US8486953, 10)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C25H30FN5O4S/c1-16-21-23(30-19-3-2-17(26)14-20(19)35-18-4-10-33-11-5-18)28-15-29-25(21)36-22(16)24(32)27-6-7-31-8-12-34-13-9-31/h2-3,14-15,18H,4-13H2,1H3,(H,27,32)(H,28,29,30)
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n/an/a 210n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98041
PNG
(US8486953, 71)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12)C(N)=O
Show InChI InChI=1S/C25H29FN6O4S/c1-15-21-24(28-14-29-25(21)37-22(15)23(27)34)30-18-3-2-16(26)12-19(18)36-17-4-6-31(7-5-17)13-20(33)32-8-10-35-11-9-32/h2-3,12,14,17H,4-11,13H2,1H3,(H2,27,34)(H,28,29,30)
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n/an/a 400n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98037
PNG
(US8486953, 34)
Show SMILES CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(nc3OC3CCOCC3)C(F)(F)F)c2c1C
Show InChI InChI=1S/C24H29F3N6O3S/c1-14-18-20(29-13-30-23(18)37-19(14)21(34)28-9-4-10-33(2)3)31-16-5-6-17(24(25,26)27)32-22(16)36-15-7-11-35-12-8-15/h5-6,13,15H,4,7-12H2,1-3H3,(H,28,34)(H,29,30,31)
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n/an/a 680n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98038
PNG
(US8486953, 41)
Show SMILES Fc1ccc(Nc2ncnc3sc4CNCCc4c23)c(OC2CCOCC2)c1
Show InChI InChI=1S/C20H21FN4O2S/c21-12-1-2-15(16(9-12)27-13-4-7-26-8-5-13)25-19-18-14-3-6-22-10-17(14)28-20(18)24-11-23-19/h1-2,9,11,13,22H,3-8,10H2,(H,23,24,25)
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n/an/a 210n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98039
PNG
(US8486953, 48)
Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4ncon4)CC3)c12)C(N)=O
Show InChI InChI=1S/C22H22FN7O3S/c1-12-18-21(25-10-26-22(18)34-19(12)20(24)31)28-15-3-2-13(23)8-16(15)33-14-4-6-30(7-5-14)9-17-27-11-32-29-17/h2-3,8,10-11,14H,4-7,9H2,1H3,(H2,24,31)(H,25,26,28)
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n/an/a 460n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98040
PNG
(US8486953, 53)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
Show InChI InChI=1S/C22H28FN5O2S/c1-13(2)30-17-11-15(23)7-8-16(17)27-20-18-14(3)19(31-22(18)26-12-25-20)21(29)24-9-6-10-28(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,29)(H,25,26,27)
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n/an/a 35n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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n/an/a 590n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair