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Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'winkel' and Initial = 'r'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50331622
PNG
(5-amino-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl...)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N5O2/c1-13-7-8-14(20(27)24-15-9-10-15)11-18(13)25-21(28)17-12-23-26(19(17)22)16-5-3-2-4-6-16/h2-8,11-12,15H,9-10,22H2,1H3,(H,24,27)(H,25,28)
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n/an/a 2n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557619
PNG
(CHEMBL4796239)
Show SMILES CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O |r|
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TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505859
PNG
(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
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n/an/a 3.70n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of full-length human C-terminal NanoLuc-tagged P38 alpha MAPK expressed in human HEK293T cells incubated for 2 hrs followed by NanoBRET Na...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557620
PNG
(CHEMBL4752978)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O
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TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505859
PNG
(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
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n/an/a 5n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50492374
PNG
(CHEMBL2401983)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C22H19ClN2O2S/c1-13-6-7-14(21(26)24-15-8-9-15)12-18(13)25-22(27)20-11-10-19(28-20)16-4-2-3-5-17(16)23/h2-7,10-12,15H,8-9H2,1H3,(H,24,26)(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505874
PNG
(CHEMBL4444997)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ncc(s1)C(=O)NC1CC1
Show InChI InChI=1S/C18H18N6O2S/c19-16-13(8-22-24(16)12-4-2-1-3-5-12)17(25)21-10-15-20-9-14(27-15)18(26)23-11-6-7-11/h1-5,8-9,11H,6-7,10,19H2,(H,21,25)(H,23,26)
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n/an/a 9n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505859
PNG
(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
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n/an/a 10n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of p38-beta (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBR...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50331622
PNG
(5-amino-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl...)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N5O2/c1-13-7-8-14(20(27)24-15-9-10-15)11-18(13)25-21(28)17-12-23-26(19(17)22)16-5-3-2-4-6-16/h2-8,11-12,15H,9-10,22H2,1H3,(H,24,27)(H,25,28)
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n/an/a 10n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50438317
PNG
(CHEMBL2408611)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)|
Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505885
PNG
(CHEMBL4473671)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1)-c1ccccc1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C28H33N5O3/c1-19-12-14-21(27(35)31-24(26(29)34)15-13-20-8-4-2-5-9-20)16-25(19)32-28(36)22-17-30-33(18-22)23-10-6-3-7-11-23/h3,6-7,10-12,14,16-18,20,24H,2,4-5,8-9,13,15H2,1H3,(H2,29,34)(H,31,35)(H,32,36)/t24-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505875
PNG
(CHEMBL4443551)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C27H32N6O3/c1-17-12-13-19(26(35)32-23(25(29)34)14-18-8-4-2-5-9-18)15-22(17)31-27(36)21-16-30-33(24(21)28)20-10-6-3-7-11-20/h3,6-7,10-13,15-16,18,23H,2,4-5,8-9,14,28H2,1H3,(H2,29,34)(H,31,36)(H,32,35)/t23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505903
PNG
(CHEMBL4462636)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C29H32ClN3O3S/c1-18-11-13-20(28(35)32-23(27(31)34)14-12-19-7-3-2-4-8-19)17-24(18)33-29(36)26-16-15-25(37-26)21-9-5-6-10-22(21)30/h5-6,9-11,13,15-17,19,23H,2-4,7-8,12,14H2,1H3,(H2,31,34)(H,32,35)(H,33,36)/t23-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505900
PNG
(CHEMBL4449421)
Show SMILES CNC(=O)c1ccc(C)c(NC(=O)c2ccc(s2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C20H17ClN2O2S/c1-12-7-8-13(19(24)22-2)11-16(12)23-20(25)18-10-9-17(26-18)14-5-3-4-6-15(14)21/h3-11H,1-2H3,(H,22,24)(H,23,25)
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n/an/a 17n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505899
PNG
(CHEMBL4552734)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(N)=O
Show InChI InChI=1S/C19H15ClN2O2S/c1-11-6-7-12(18(21)23)10-15(11)22-19(24)17-9-8-16(25-17)13-4-2-3-5-14(13)20/h2-10H,1H3,(H2,21,23)(H,22,24)
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n/an/a 17n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505888
PNG
(CHEMBL4476320)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1)-c1ccccc1C)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C29H35N5O3/c1-19-12-14-22(28(36)32-24(27(30)35)15-13-21-9-4-3-5-10-21)16-25(19)33-29(37)23-17-31-34(18-23)26-11-7-6-8-20(26)2/h6-8,11-12,14,16-18,21,24H,3-5,9-10,13,15H2,1-2H3,(H2,30,35)(H,32,36)(H,33,37)/t24-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505886
PNG
(CHEMBL4574467)
Show SMILES Cc1ccccc1-n1cc(cn1)C(=O)NCc1ncc(s1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C26H32N6O3S/c1-17-7-5-6-10-21(17)32-16-19(13-30-32)25(34)29-15-23-28-14-22(36-23)26(35)31-20(24(27)33)12-11-18-8-3-2-4-9-18/h5-7,10,13-14,16,18,20H,2-4,8-9,11-12,15H2,1H3,(H2,27,33)(H,29,34)(H,31,35)/t20-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50187111
PNG
(CHEMBL3823738)
Show SMILES CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)
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TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505865
PNG
(CHEMBL4531946)
Show SMILES NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1cnc(CNC(=O)c2cnn(c2)-c2ccccc2)s1 |r|
Show InChI InChI=1S/C25H30N6O3S/c26-23(32)20(12-11-17-7-3-1-4-8-17)30-25(34)21-14-27-22(35-21)15-28-24(33)18-13-29-31(16-18)19-9-5-2-6-10-19/h2,5-6,9-10,13-14,16-17,20H,1,3-4,7-8,11-12,15H2,(H2,26,32)(H,28,33)(H,30,34)/t20-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505859
PNG
(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
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n/an/a 32n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505906
PNG
(CHEMBL3939964)
Show SMILES NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H34N6O3/c29-25-23(18-32-34(25)22-9-5-2-6-10-22)28(37)31-17-20-11-14-21(15-12-20)27(36)33-24(26(30)35)16-13-19-7-3-1-4-8-19/h2,5-6,9-12,14-15,18-19,24H,1,3-4,7-8,13,16-17,29H2,(H2,30,35)(H,31,37)(H,33,36)/t24-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505907
PNG
(CHEMBL4440113)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)NC(C)(C)C(N)=O
Show InChI InChI=1S/C22H24N6O3/c1-13-9-10-14(19(29)27-22(2,3)21(24)31)11-17(13)26-20(30)16-12-25-28(18(16)23)15-7-5-4-6-8-15/h4-12H,23H2,1-3H3,(H2,24,31)(H,26,30)(H,27,29)
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n/an/a 44n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505928
PNG
(CHEMBL4439959)
Show SMILES NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc(CNC(=O)c2cnn(c2N)-c2ccccc2)s1 |r|
Show InChI InChI=1S/C24H29N7O3S/c25-21-17(12-29-31(21)16-9-5-2-6-10-16)23(33)28-14-20-27-13-19(35-20)24(34)30-18(22(26)32)11-15-7-3-1-4-8-15/h2,5-6,9-10,12-13,15,18H,1,3-4,7-8,11,14,25H2,(H2,26,32)(H,28,33)(H,30,34)/t18-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505894
PNG
(CHEMBL4452908)
Show SMILES CC(C)CCCNC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
Show InChI InChI=1S/C24H29N5O2/c1-17(2)7-6-14-26-23(30)19-12-10-18(11-13-19)15-27-24(31)21-16-28-29(22(21)25)20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,14-15,25H2,1-2H3,(H,26,30)(H,27,31)
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n/an/a 47n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505908
PNG
(CHEMBL4540969)
Show SMILES CC(C)CC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2cnn(c2N)-c2ccccc2)c1)C(N)=O |r|
Show InChI InChI=1S/C25H30N6O3/c1-15(2)9-12-20(23(27)32)29-24(33)17-11-10-16(3)21(13-17)30-25(34)19-14-28-31(22(19)26)18-7-5-4-6-8-18/h4-8,10-11,13-15,20H,9,12,26H2,1-3H3,(H2,27,32)(H,29,33)(H,30,34)/t20-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505898
PNG
(CHEMBL4441119)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C32H33N7O2/c1-21-10-16-25(17-11-21)38-28(18-27(37-38)32(2,3)4)36-30(40)23-14-12-22(13-15-23)19-34-31(41)26-20-35-39(29(26)33)24-8-6-5-7-9-24/h5-18,20H,19,33H2,1-4H3,(H,34,41)(H,36,40)
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n/an/a 55n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505927
PNG
(CHEMBL4457772)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(=O)NC1(CC1)C(N)=O
Show InChI InChI=1S/C23H20ClN3O3S/c1-13-6-7-14(20(28)27-23(10-11-23)22(25)30)12-17(13)26-21(29)19-9-8-18(31-19)15-4-2-3-5-16(15)24/h2-9,12H,10-11H2,1H3,(H2,25,30)(H,26,29)(H,27,28)
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n/an/a 59n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505874
PNG
(CHEMBL4444997)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ncc(s1)C(=O)NC1CC1
Show InChI InChI=1S/C18H18N6O2S/c19-16-13(8-22-24(16)12-4-2-1-3-5-12)17(25)21-10-15-20-9-14(27-15)18(26)23-11-6-7-11/h1-5,8-9,11H,6-7,10,19H2,(H,21,25)(H,23,26)
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n/an/a 59n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505863
PNG
(CHEMBL4465031)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1C(F)(F)F)-c1ccccc1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C29H32F3N5O3/c1-18-12-14-20(27(39)35-23(26(33)38)15-13-19-8-4-2-5-9-19)16-24(18)36-28(40)22-17-34-37(25(22)29(30,31)32)21-10-6-3-7-11-21/h3,6-7,10-12,14,16-17,19,23H,2,4-5,8-9,13,15H2,1H3,(H2,33,38)(H,35,39)(H,36,40)/t23-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505860
PNG
(CHEMBL4465838)
Show SMILES CN(C)C(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H38N6O3/c1-35(2)30(39)26(18-15-21-9-5-3-6-10-21)34-28(37)23-16-13-22(14-17-23)19-32-29(38)25-20-33-36(27(25)31)24-11-7-4-8-12-24/h4,7-8,11-14,16-17,20-21,26H,3,5-6,9-10,15,18-19,31H2,1-2H3,(H,32,38)(H,34,37)/t26-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505916
PNG
(CHEMBL4440391)
Show SMILES CC(NC(=O)c1cnn(c1)-c1ccccc1C)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C30H37N5O3/c1-20-8-6-7-11-27(20)35-19-25(18-32-35)30(38)33-21(2)23-13-15-24(16-14-23)29(37)34-26(28(31)36)17-12-22-9-4-3-5-10-22/h6-8,11,13-16,18-19,21-22,26H,3-5,9-10,12,17H2,1-2H3,(H2,31,36)(H,33,38)(H,34,37)/t21?,26-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505875
PNG
(CHEMBL4443551)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C27H32N6O3/c1-17-12-13-19(26(35)32-23(25(29)34)14-18-8-4-2-5-9-18)15-22(17)31-27(36)21-16-30-33(24(21)28)20-10-6-3-7-11-20/h3,6-7,10-13,15-16,18,23H,2,4-5,8-9,14,28H2,1H3,(H2,29,34)(H,31,36)(H,32,35)/t23-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505891
PNG
(CHEMBL4549215)
Show SMILES Cc1ccc(cc1NC(=O)c1cc(n[nH]1)-c1ccccc1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C28H33N5O3/c1-18-12-14-21(27(35)30-22(26(29)34)15-13-19-8-4-2-5-9-19)16-23(18)31-28(36)25-17-24(32-33-25)20-10-6-3-7-11-20/h3,6-7,10-12,14,16-17,19,22H,2,4-5,8-9,13,15H2,1H3,(H2,29,34)(H,30,35)(H,31,36)(H,32,33)/t22-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505873
PNG
(CHEMBL4455632)
Show SMILES CC(C)CC[C@H](NC(=O)c1cnc(CNC(=O)c2cnn(c2N)-c2ccccc2)s1)C(N)=O |r|
Show InChI InChI=1S/C22H27N7O3S/c1-13(2)8-9-16(20(24)30)28-22(32)17-11-25-18(33-17)12-26-21(31)15-10-27-29(19(15)23)14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12,23H2,1-2H3,(H2,24,30)(H,26,31)(H,28,32)/t16-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505888
PNG
(CHEMBL4476320)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1)-c1ccccc1C)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C29H35N5O3/c1-19-12-14-22(28(36)32-24(27(30)35)15-13-21-9-4-3-5-10-21)16-25(19)33-29(37)23-17-31-34(18-23)26-11-7-6-8-20(26)2/h6-8,11-12,14,16-18,21,24H,3-5,9-10,13,15H2,1-2H3,(H2,30,35)(H,32,36)(H,33,37)/t24-/m0/s1
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n/an/a 144n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505903
PNG
(CHEMBL4462636)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C29H32ClN3O3S/c1-18-11-13-20(28(35)32-23(27(31)34)14-12-19-7-3-2-4-8-19)17-24(18)33-29(36)26-16-15-25(37-26)21-9-5-6-10-22(21)30/h5-6,9-11,13,15-17,19,23H,2-4,7-8,12,14H2,1H3,(H2,31,34)(H,32,35)(H,33,36)/t23-/m0/s1
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n/an/a 167n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505886
PNG
(CHEMBL4574467)
Show SMILES Cc1ccccc1-n1cc(cn1)C(=O)NCc1ncc(s1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C26H32N6O3S/c1-17-7-5-6-10-21(17)32-16-19(13-30-32)25(34)29-15-23-28-14-22(36-23)26(35)31-20(24(27)33)12-11-18-8-3-2-4-9-18/h5-7,10,13-14,16,18,20H,2-4,8-9,11-12,15H2,1H3,(H2,27,33)(H,29,34)(H,31,35)/t20-/m0/s1
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n/an/a 191n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505885
PNG
(CHEMBL4473671)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1)-c1ccccc1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C28H33N5O3/c1-19-12-14-21(27(35)31-24(26(29)34)15-13-20-8-4-2-5-9-20)16-25(19)32-28(36)22-17-30-33(18-22)23-10-6-3-7-11-23/h3,6-7,10-12,14,16-18,20,24H,2,4-5,8-9,13,15H2,1H3,(H2,29,34)(H,31,35)(H,32,36)/t24-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505871
PNG
(CHEMBL4580635)
Show SMILES CC(NC(=O)c1cnn(c1N)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C28H34N6O3/c1-18(32-28(37)23-17-31-34(25(23)29)22-10-6-3-7-11-22)20-12-14-21(15-13-20)27(36)33-24(26(30)35)16-19-8-4-2-5-9-19/h3,6-7,10-15,17-19,24H,2,4-5,8-9,16,29H2,1H3,(H2,30,35)(H,32,37)(H,33,36)/t18?,24-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50505870
PNG
(CHEMBL4531775)
Show SMILES FC(F)(F)c1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C28H31F3N4O2/c29-28(30,31)25-24(19-34-35(25)23-11-5-2-6-12-23)27(37)33-18-21-13-15-22(16-14-21)26(36)32-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18H2,(H,32,36)(H,33,37)
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n/an/a 220n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET a...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50505906
PNG
(CHEMBL3939964)
Show SMILES NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H34N6O3/c29-25-23(18-32-34(25)22-9-5-2-6-10-22)28(37)31-17-20-11-14-21(15-12-20)27(36)33-24(26(30)35)16-13-19-7-3-1-4-8-19/h2,5-6,9-12,14-15,18-19,24H,1,3-4,7-8,13,16-17,29H2,(H2,30,35)(H,31,37)(H,33,36)/t24-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505931
PNG
(CHEMBL4536573)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N5O2/c22-19-18(13-24-26(19)17-4-2-1-3-5-17)21(28)23-12-14-6-8-15(9-7-14)20(27)25-16-10-11-16/h1-9,13,16H,10-12,22H2,(H,23,28)(H,25,27)
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505919
PNG
(CHEMBL4471195)
Show SMILES NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
Show InChI InChI=1S/C18H17N5O2/c19-16-15(11-22-23(16)14-4-2-1-3-5-14)18(25)21-10-12-6-8-13(9-7-12)17(20)24/h1-9,11H,10,19H2,(H2,20,24)(H,21,25)
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n/an/a 258n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505880
PNG
(CHEMBL4440440)
Show SMILES Cc1ccccc1-n1cc(cn1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C28H33N5O3/c1-19-7-5-6-10-25(19)33-18-23(17-31-33)27(35)30-16-21-11-13-22(14-12-21)28(36)32-24(26(29)34)15-20-8-3-2-4-9-20/h5-7,10-14,17-18,20,24H,2-4,8-9,15-16H2,1H3,(H2,29,34)(H,30,35)(H,32,36)/t24-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50492374
PNG
(CHEMBL2401983)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C22H19ClN2O2S/c1-13-6-7-14(21(26)24-15-8-9-15)12-18(13)25-22(27)20-11-10-19(28-20)16-4-2-3-5-17(16)23/h2-7,10-12,15H,8-9H2,1H3,(H,24,26)(H,25,27)
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n/an/a 265n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505915
PNG
(CHEMBL4438679)
Show SMILES CC(NC(=O)c1cnn(c1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C29H35N5O3/c1-20(32-29(37)24-18-31-34(19-24)25-10-6-3-7-11-25)22-13-15-23(16-14-22)28(36)33-26(27(30)35)17-12-21-8-4-2-5-9-21/h3,6-7,10-11,13-16,18-21,26H,2,4-5,8-9,12,17H2,1H3,(H2,30,35)(H,32,37)(H,33,36)/t20?,26-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505921
PNG
(CHEMBL4522291)
Show SMILES CCCC[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1)C(N)=O |r|
Show InChI InChI=1S/C24H28N6O3/c1-2-3-9-20(22(26)31)29-23(32)17-12-10-16(11-13-17)14-27-24(33)19-15-28-30(21(19)25)18-7-5-4-6-8-18/h4-8,10-13,15,20H,2-3,9,14,25H2,1H3,(H2,26,31)(H,27,33)(H,29,32)/t20-/m0/s1
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50505881
PNG
(CHEMBL4447850)
Show SMILES Cc1ccccc1-n1cc(cn1)C(=O)NCc1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O2/c1-15-4-2-3-5-20(15)26-14-18(13-24-26)21(27)23-12-16-6-8-17(9-7-16)22(28)25-19-10-11-19/h2-9,13-14,19H,10-12H2,1H3,(H,23,27)(H,25,28)
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Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557622
PNG
(CHEMBL4786426)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccccc2C1
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TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
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