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4 similar compounds to monomer 181385

Compile data set for download or QSAR
Wt: 486.9
BDBM181374
Wt: 489.9
BDBM181388
Wt: 478.5
BDBM181401
Wt: 452.5
BDBM181410

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 181374,181388,181401,181410   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181374
PNG
(US9139577, 1.005 | US9708274, 1.005)
Show SMILES CCS(C)(=O)=Nc1cc(Cl)c2c(Nc3cccnc3O[C@H](C)c3cc(C)no3)ncnc2c1
Show InChI InChI=1S/C22H23ClN6O3S/c1-5-33(4,30)29-15-10-16(23)20-18(11-15)25-12-26-21(20)27-17-7-6-8-24-22(17)31-14(3)19-9-13(2)28-32-19/h6-12,14H,5H2,1-4H3,(H,25,26,27)/t14-,33?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181388
PNG
(US9139577, 1.019 | US9708274, 1.019)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H21ClFN5O3S/c1-12-7-19(32-28-12)13(2)31-20-8-14(24)5-6-17(20)27-22-21-16(23)9-15(29-33(3,4)30)10-18(21)25-11-26-22/h5-11,13H,1-4H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181410
PNG
(US9139577, 2.018 | US9708274, 2.018)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H24N6O3S/c1-13-9-16(28-32(4,5)29)11-18-20(13)21(25-12-24-18)26-17-7-6-8-23-22(17)30-15(3)19-10-14(2)27-31-19/h6-12,15H,1-5H3,(H,24,25,26)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM181388
PNG
(US9139577, 1.019 | US9708274, 1.019)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H21ClFN5O3S/c1-12-7-19(32-28-12)13(2)31-20-8-14(24)5-6-17(20)27-22-21-16(23)9-15(29-33(3,4)30)10-18(21)25-11-26-22/h5-11,13H,1-4H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The Z-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and n...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The Z-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and n...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM181410
PNG
(US9139577, 2.018 | US9708274, 2.018)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H24N6O3S/c1-13-9-16(28-32(4,5)29)11-18-20(13)21(25-12-24-18)26-17-7-6-8-23-22(17)30-15(3)19-10-14(2)27-31-19/h6-12,15H,1-5H3,(H,24,25,26)/t15-/m1/s1
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n/an/a 34n/an/an/an/a7.5n/a



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK1a was assessed using pre-activated GST-MNK1a. The 2xMKNK1 (MNK1) mixture is prepared in 50 mM HEPES pH 7.5, ...


US Patent US9708274 (2017)

More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181374
PNG
(US9139577, 1.005 | US9708274, 1.005)
Show SMILES CCS(C)(=O)=Nc1cc(Cl)c2c(Nc3cccnc3O[C@H](C)c3cc(C)no3)ncnc2c1
Show InChI InChI=1S/C22H23ClN6O3S/c1-5-33(4,30)29-15-10-16(23)20-18(11-15)25-12-26-21(20)27-17-7-6-8-24-22(17)31-14(3)19-9-13(2)28-32-19/h6-12,14H,5H2,1-4H3,(H,25,26,27)/t14-,33?/m1/s1
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n/an/a 2n/an/an/an/an/a25



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9708274 (2017)

More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181388
PNG
(US9139577, 1.019 | US9708274, 1.019)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H21ClFN5O3S/c1-12-7-19(32-28-12)13(2)31-20-8-14(24)5-6-17(20)27-22-21-16(23)9-15(29-33(3,4)30)10-18(21)25-11-26-22/h5-11,13H,1-4H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/a25



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9708274 (2017)

More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/a25



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9708274 (2017)

More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181410
PNG
(US9139577, 2.018 | US9708274, 2.018)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H24N6O3S/c1-13-9-16(28-32(4,5)29)11-18-20(13)21(25-12-24-18)26-17-7-6-8-23-22(17)30-15(3)19-10-14(2)27-31-19/h6-12,15H,1-5H3,(H,24,25,26)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/a25



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9708274 (2017)

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


(Homo sapiens (human))
BDBM181388
PNG
(US9139577, 1.019 | US9708274, 1.019)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H21ClFN5O3S/c1-12-7-19(32-28-12)13(2)31-20-8-14(24)5-6-17(20)27-22-21-16(23)9-15(29-33(3,4)30)10-18(21)25-11-26-22/h5-11,13H,1-4H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 54n/an/an/an/a7.5n/a



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK1a was assessed using pre-activated GST-MNK1a. The 2xMKNK1 (MNK1) mixture is prepared in 50 mM HEPES pH 7.5, ...


US Patent US9708274 (2017)

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


(Homo sapiens (human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
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n/an/a 49n/an/an/an/a7.5n/a



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK1a was assessed using pre-activated GST-MNK1a. The 2xMKNK1 (MNK1) mixture is prepared in 50 mM HEPES pH 7.5, ...


US Patent US9708274 (2017)

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


(Homo sapiens (human))
BDBM181410
PNG
(US9139577, 2.018 | US9708274, 2.018)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1
Show InChI InChI=1S/C22H24N6O3S/c1-13-9-16(28-32(4,5)29)11-18-20(13)21(25-12-24-18)26-17-7-6-8-23-22(17)30-15(3)19-10-14(2)27-31-19/h6-12,15H,1-5H3,(H,24,25,26)/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The Z-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and n...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair