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9 similar compounds to monomer 50337136

Compile data set for download or QSAR
Wt: 460.5
BDBM50337128
Wt: 446.5
BDBM50337129
Wt: 542.6
BDBM50337131
Wt: 458.5
BDBM50337132
Wt: 474.5
BDBM50337134
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Wt: 541.6
BDBM50337137
Wt: 475.5
BDBM50337138
Wt: 570.6
BDBM50379529
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Wt: 638.8
BDBM50434070
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50337128,50337129,50337131,50337132,50337134,50337137,50337138,50379529,50434070   
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
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337134
PNG
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
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n/an/an/a 80n/an/an/an/an/a



Harvard Medical School



Assay Description
In vitro biochemical assays were performed in parallel to determine the most potent tool compound.


Chem Biol 18: 868-79 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.010
BindingDB Entry DOI: 10.7270/Q2HD7T57
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337138
PNG
(4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H29N7O3/c1-30(2)13-12-26-23(33)16-10-11-18(21(14-16)35-5)28-25-27-15-20-22(29-25)31(3)19-9-7-6-8-17(19)24(34)32(20)4/h6-11,14-15H,12-13H2,1-5H3,(H,26,33)(H,27,28,29)
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis


ACS Med Chem Lett 2: 195-200 (2011)


Article DOI: 10.1021/ml100304b
BindingDB Entry DOI: 10.7270/Q2222VSB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337134
PNG
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
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n/an/an/a 80n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50379529
PNG
(CHEMBL2012582)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 3.5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of recombinant LRRK2 (unknown origin) using gamma-32P-ATP assessed as LRRKtide substrate phosphorylation level by autoradiography


Bioorg Med Chem Lett 24: 4630-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.049
BindingDB Entry DOI: 10.7270/Q2DB83GB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50379529
PNG
(CHEMBL2012582)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 13n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of wild-type GST-tagged LRRK2 (1326 to 2527 aa)(unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by ...


Eur J Med Chem 95: 29-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.003
BindingDB Entry DOI: 10.7270/Q2TH8PDX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50379529
PNG
(CHEMBL2012582)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 7.90n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...


Eur J Med Chem 95: 29-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.003
BindingDB Entry DOI: 10.7270/Q2TH8PDX
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50379529
PNG
(CHEMBL2012582)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 58: 6733-46 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00261
BindingDB Entry DOI: 10.7270/Q20K2BC9
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50434070
PNG
(CHEMBL2381340)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)
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n/an/an/an/a 4.20E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human ERK5 transfected in HEK293 cells assessed as inhibition of AP1 transcriptional activity after 24 hrs by du...


J Med Chem 56: 4413-21 (2013)


Article DOI: 10.1021/jm4000837
BindingDB Entry DOI: 10.7270/Q2RF5WDZ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50379529
PNG
(CHEMBL2012582)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 13n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 ((1326 to 2517 amino acids) (unknown origin)


Bioorg Med Chem Lett 23: 3690-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.086
BindingDB Entry DOI: 10.7270/Q27P90SD
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50379529
PNG
(CHEMBL2012582)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 13n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of wild-type LRRK2 expressed in HEK293 cells using nictide and [gamma32]ATP as substrate


Bioorg Med Chem Lett 22: 1864-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.084
BindingDB Entry DOI: 10.7270/Q2VX0HHM
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337128
PNG
(2-((4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl)am...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C25H28N6O3/c1-29-20-7-5-4-6-18(20)24(33)30(2)21-15-26-25(28-23(21)29)27-19-9-8-16(14-22(19)34-3)31-12-10-17(32)11-13-31/h4-9,14-15,17,32H,10-13H2,1-3H3,(H,26,27,28)
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis


ACS Med Chem Lett 2: 195-200 (2011)


Article DOI: 10.1021/ml100304b
BindingDB Entry DOI: 10.7270/Q2222VSB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337129
PNG
(2-((2-methoxy-4-morpholinophenyl)amino)-5,11-dimet...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCOCC1
Show InChI InChI=1S/C24H26N6O3/c1-28-19-7-5-4-6-17(19)23(31)29(2)20-15-25-24(27-22(20)28)26-18-9-8-16(14-21(18)32-3)30-10-12-33-13-11-30/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27)
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis


ACS Med Chem Lett 2: 195-200 (2011)


Article DOI: 10.1021/ml100304b
BindingDB Entry DOI: 10.7270/Q2222VSB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337131
PNG
(2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperid...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H38N8O2/c1-34-15-17-38(18-16-34)21-11-13-37(14-12-21)22-9-10-24(27(19-22)40-4)32-30-31-20-26-28(33-30)35(2)25-8-6-5-7-23(25)29(39)36(26)3/h5-10,19-21H,11-18H2,1-4H3,(H,31,32,33)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis


ACS Med Chem Lett 2: 195-200 (2011)


Article DOI: 10.1021/ml100304b
BindingDB Entry DOI: 10.7270/Q2222VSB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337132
PNG
(2-((2-methoxy-4-(1-methylpiperidin-4-yl)phenyl)ami...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C1CCN(C)CC1
Show InChI InChI=1S/C26H30N6O2/c1-30-13-11-17(12-14-30)18-9-10-20(23(15-18)34-4)28-26-27-16-22-24(29-26)31(2)21-8-6-5-7-19(21)25(33)32(22)3/h5-10,15-17H,11-14H2,1-4H3,(H,27,28,29)
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis


ACS Med Chem Lett 2: 195-200 (2011)


Article DOI: 10.1021/ml100304b
BindingDB Entry DOI: 10.7270/Q2222VSB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337134
PNG
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis


ACS Med Chem Lett 2: 195-200 (2011)


Article DOI: 10.1021/ml100304b
BindingDB Entry DOI: 10.7270/Q2222VSB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337137
PNG
(2-((2-methoxy-4-(4-(pyrrolidin-1-yl)piperidine-1-c...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C30H35N7O3/c1-34-24-9-5-4-8-22(24)29(39)35(2)25-19-31-30(33-27(25)34)32-23-11-10-20(18-26(23)40-3)28(38)37-16-12-21(13-17-37)36-14-6-7-15-36/h4-5,8-11,18-19,21H,6-7,12-17H2,1-3H3,(H,31,32,33)
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis


ACS Med Chem Lett 2: 195-200 (2011)


Article DOI: 10.1021/ml100304b
BindingDB Entry DOI: 10.7270/Q2222VSB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337128
PNG
(2-((4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl)am...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C25H28N6O3/c1-29-20-7-5-4-6-18(20)24(33)30(2)21-15-26-25(28-23(21)29)27-19-9-8-16(14-22(19)34-3)31-12-10-17(32)11-13-31/h4-9,14-15,17,32H,10-13H2,1-3H3,(H,26,27,28)
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US Patent
n/an/an/a 57n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair