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Compile Data Set for Download or QSAR

Found 277 hits with Last Name = 'kinkel' and Initial = 'k'   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.5n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251993
PNG
(CHEMBL481952 | trans-4-{4-[4-(4-Fluoro-phenyl)-3-(...)
Show SMILES COCCn1c(SC)nc(c1-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1)-c1ccc(F)cc1 |r,wU:17.17,wD:20.21,(29.63,-2.28,;28.09,-2.28,;27.32,-.95,;25.78,-.95,;25.02,.38,;25.93,1.62,;27.47,1.61,;28.24,.28,;25.03,2.87,;23.56,2.4,;23.56,.85,;22.23,.09,;20.9,.86,;19.56,.09,;19.56,-1.45,;20.91,-2.22,;20.91,-3.76,;22.25,-4.52,;23.58,-3.75,;24.93,-4.52,;24.93,-6.07,;26.26,-6.84,;23.59,-6.84,;22.25,-6.05,;22.23,-1.44,;22.24,3.17,;22.25,4.71,;20.92,5.49,;19.58,4.73,;18.25,5.51,;19.58,3.18,;20.91,2.41,)|
Show InChI InChI=1S/C24H29FN4O2S/c1-31-14-13-29-23(22(28-24(29)32-2)16-3-5-18(25)6-4-16)17-11-12-26-21(15-17)27-19-7-9-20(30)10-8-19/h3-6,11-12,15,19-20,30H,7-10,13-14H2,1-2H3,(H,26,27)/t19-,20-
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n/an/a 3n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251932
PNG
(CHEMBL516607 | trans-4-{4-[4-(4-Fluoro-phenyl)-2-m...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.25,wD:20.21,(13.12,-40.31,;12.35,-38.97,;10.81,-38.97,;9.9,-40.21,;8.44,-39.73,;8.44,-38.19,;9.91,-37.72,;7.11,-37.41,;7.13,-35.87,;5.8,-35.09,;4.46,-35.85,;3.13,-35.08,;4.45,-37.4,;5.78,-38.17,;7.11,-40.5,;5.77,-39.72,;4.44,-40.49,;4.44,-42.04,;5.78,-42.8,;5.79,-44.35,;7.13,-45.11,;7.12,-46.65,;8.45,-47.42,;9.79,-46.65,;11.12,-47.42,;9.79,-45.11,;8.45,-44.33,;7.11,-42.03,)|
Show InChI InChI=1S/C21H23FN4OS/c1-28-21-25-19(13-2-4-15(22)5-3-13)20(26-21)14-10-11-23-18(12-14)24-16-6-8-17(27)9-7-16/h2-5,10-12,16-17,27H,6-9H2,1H3,(H,23,24)(H,25,26)/t16-,17-
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n/an/a 3n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251985
PNG
(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C20H21FN4OS/c1-27-20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251981
PNG
(2-{4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imid...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CO)c1
Show InChI InChI=1S/C18H19FN4OS/c1-11(10-24)21-15-9-13(7-8-20-15)17-16(22-18(23-17)25-2)12-3-5-14(19)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,21)(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251972
PNG
(((R)-1-Cyclohexyl-ethyl)-{4-[4-(4-fluoro-phenyl)-2...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H](C)C2CCCCC2)c1 |r|
Show InChI InChI=1S/C23H27FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h8-16H,3-7H2,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251982
PNG
(2-{4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imid...)
Show SMILES CCC(CO)Nc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN4OS/c1-3-15(11-25)22-16-10-13(8-9-21-16)18-17(23-19(24-18)26-2)12-4-6-14(20)7-5-12/h4-10,15,25H,3,11H2,1-2H3,(H,21,22)(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251978
PNG
((1,2-Dimethyl-propyl)-{4-[4-(4-fluoro-phenyl)-2-me...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)C(C)C)c1
Show InChI InChI=1S/C20H23FN4S/c1-12(2)13(3)23-17-11-15(9-10-22-17)19-18(24-20(25-19)26-4)14-5-7-16(21)8-6-14/h5-13H,1-4H3,(H,22,23)(H,24,25)
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n/an/a 11n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251921
PNG
(CHEMBL481749 | trans-4-{4-[2-Methylsulfanyl-4-(3-t...)
Show SMILES CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:26.28,wD:23.24,(26.57,-40.06,;25.8,-38.72,;24.26,-38.72,;23.35,-39.96,;21.89,-39.48,;21.89,-37.94,;23.36,-37.47,;20.57,-37.16,;19.23,-37.92,;17.91,-37.15,;17.91,-35.6,;19.25,-34.84,;20.58,-35.62,;19.26,-33.3,;19.25,-31.76,;20.8,-33.3,;17.72,-33.31,;20.56,-40.24,;19.22,-39.47,;17.89,-40.24,;17.89,-41.78,;19.23,-42.55,;19.24,-44.09,;20.58,-44.86,;20.57,-46.4,;21.9,-47.16,;23.24,-46.39,;24.57,-47.16,;23.24,-44.85,;21.9,-44.08,;20.56,-41.78,)|
Show InChI InChI=1S/C22H23F3N4OS/c1-31-21-28-19(13-3-2-4-15(11-13)22(23,24)25)20(29-21)14-9-10-26-18(12-14)27-16-5-7-17(30)8-6-16/h2-4,9-12,16-17,30H,5-8H2,1H3,(H,26,27)(H,28,29)/t16-,17-
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n/an/a 11n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252665
PNG
(CHEMBL493669 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CCc2ccccc2)c1
Show InChI InChI=1S/C25H25FN4S/c1-17(8-9-18-6-4-3-5-7-18)28-22-16-20(14-15-27-22)24-23(29-25(30-24)31-2)19-10-12-21(26)13-11-19/h3-7,10-17H,8-9H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251975
PNG
((cis/trans) -{4-[4-(4-Fluoro-phenyl)-2-methylsulfa...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2C)c1
Show InChI InChI=1S/C22H25FN4S/c1-14-5-3-4-6-18(14)25-19-13-16(11-12-24-19)21-20(26-22(27-21)28-2)15-7-9-17(23)10-8-15/h7-14,18H,3-6H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251924
PNG
(CHEMBL481751 | trans-{4-[4-(4-Fluoro-phenyl)-2-met...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H]2CC[C@H](C)CC2)c1 |r,wU:20.21,wD:23.25,(2.16,-47.39,;1.39,-46.06,;-.15,-46.05,;-1.06,-47.29,;-2.52,-46.82,;-2.51,-45.27,;-1.05,-44.8,;-3.84,-44.5,;-3.83,-42.96,;-5.16,-42.18,;-6.5,-42.94,;-7.83,-42.16,;-6.5,-44.49,;-5.17,-45.26,;-3.85,-47.58,;-5.18,-46.81,;-6.52,-47.58,;-6.52,-49.12,;-5.17,-49.89,;-5.17,-51.43,;-3.83,-52.19,;-2.49,-51.42,;-1.16,-52.19,;-1.16,-53.73,;.18,-54.5,;-2.48,-54.5,;-3.81,-53.73,;-3.85,-49.11,)|
Show InChI InChI=1S/C22H25FN4S/c1-14-3-9-18(10-4-14)25-19-13-16(11-12-24-19)21-20(26-22(27-21)28-2)15-5-7-17(23)8-6-15/h5-8,11-14,18H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,27)/t14-,18-
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n/an/a 15n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251984
PNG
(3-{4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imid...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCCO)c1
Show InChI InChI=1S/C18H19FN4OS/c1-25-18-22-16(12-3-5-14(19)6-4-12)17(23-18)13-7-9-21-15(11-13)20-8-2-10-24/h3-7,9,11,24H,2,8,10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252664
PNG
(CHEMBL523880 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC(C)c2ccccc2)c1
Show InChI InChI=1S/C24H23FN4S/c1-16(17-6-4-3-5-7-17)15-27-21-14-19(12-13-26-21)23-22(28-24(29-23)30-2)18-8-10-20(25)11-9-18/h3-14,16H,15H2,1-2H3,(H,26,27)(H,28,29)
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n/an/a 17n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251974
PNG
(CHEMBL482086 | Cyclohexyl-{4-[4-(4-fluoro-phenyl)-...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C21H23FN4S/c1-27-21-25-19(14-7-9-16(22)10-8-14)20(26-21)15-11-12-23-18(13-15)24-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,24)(H,25,26)
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251927
PNG
((1,5-Dimethyl-hexyl)-{4-[4-(4-fluoro-phenyl)-2-met...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CCCC(C)C)c1
Show InChI InChI=1S/C23H29FN4S/c1-15(2)6-5-7-16(3)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-4)17-8-10-19(24)11-9-17/h8-16H,5-7H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251925
PNG
((cis/trans)-{4-[4-(4-Fluoro-phenyl)-2-methylsulfan...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCC(C)CC2)c1 |(14.72,-46.89,;13.96,-45.56,;12.42,-45.55,;11.51,-46.79,;10.04,-46.31,;10.05,-44.77,;11.51,-44.3,;8.72,-44,;8.73,-42.45,;7.41,-41.68,;6.07,-42.44,;4.74,-41.66,;6.06,-43.99,;7.39,-44.76,;8.71,-47.08,;7.38,-46.31,;6.05,-47.07,;6.05,-48.62,;7.39,-49.39,;7.4,-50.93,;8.73,-51.69,;8.75,-53.23,;10.08,-54,;11.4,-53.23,;12.74,-54,;11.41,-51.69,;10.07,-50.92,;8.72,-48.61,)|
Show InChI InChI=1S/C22H25FN4S/c1-14-3-9-18(10-4-14)25-19-13-16(11-12-24-19)21-20(26-22(27-21)28-2)15-5-7-17(23)8-6-15/h5-8,11-14,18H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251929
PNG
(1-{4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imid...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC(C)O)c1
Show InChI InChI=1S/C18H19FN4OS/c1-11(24)10-21-15-9-13(7-8-20-15)17-16(22-18(23-17)25-2)12-3-5-14(19)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,21)(H,22,23)
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n/an/a 21n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251912
PNG
(CHEMBL519617 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCc2cccs2)c1
Show InChI InChI=1S/C21H19FN4S2/c1-27-21-25-19(14-4-6-16(22)7-5-14)20(26-21)15-8-10-23-18(13-15)24-11-9-17-3-2-12-28-17/h2-8,10,12-13H,9,11H2,1H3,(H,23,24)(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251926
PNG
(CHEMBL481919 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CCC(C)CNc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN4S/c1-4-13(2)12-23-17-11-15(9-10-22-17)19-18(24-20(25-19)26-3)14-5-7-16(21)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,23)(H,24,25)
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n/an/a 23n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251980
PNG
((1,3-Dimethyl-butyl)-{4-[4-(4-fluoro-phenyl)-2-met...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CC(C)C)c1
Show InChI InChI=1S/C21H25FN4S/c1-13(2)11-14(3)24-18-12-16(9-10-23-18)20-19(25-21(26-20)27-4)15-5-7-17(22)8-6-15/h5-10,12-14H,11H2,1-4H3,(H,23,24)(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252617
PNG
(CHEMBL494871 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCc3ccccc23)c1
Show InChI InChI=1S/C24H21FN4S/c1-30-24-28-22(16-6-9-18(25)10-7-16)23(29-24)17-12-13-26-21(14-17)27-20-11-8-15-4-2-3-5-19(15)20/h2-7,9-10,12-14,20H,8,11H2,1H3,(H,26,27)(H,28,29)
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n/an/a 28n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University Tübingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay


J Med Chem 50: 1213-21 (2007)


Article DOI: 10.1021/jm061097o
BindingDB Entry DOI: 10.7270/Q2QZ29NS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50243761
PNG
(4-(1H-Indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-15(11-23-21(19)24)14-10-22-16-7-5-4-6-13(14)16/h4-10,22H,11H2,1-3H3,(H,23,24)
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n/an/a 31n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251923
PNG
(CHEMBL481750 | cis-{4-[4-(4-Fluoro-phenyl)-2-methy...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@@H]2CC[C@H](C)CC2)c1 |r,wU:20.21,23.25,(43.41,-32.21,;42.64,-30.87,;41.1,-30.87,;40.19,-32.11,;38.73,-31.63,;38.73,-30.09,;40.2,-29.62,;37.4,-29.32,;37.42,-27.77,;36.09,-26.99,;34.75,-27.76,;33.42,-26.98,;34.74,-29.3,;36.07,-30.08,;37.4,-32.4,;36.06,-31.62,;34.73,-32.39,;34.73,-33.93,;36.07,-34.7,;36.08,-36.24,;37.42,-37.02,;37.44,-38.55,;38.77,-39.32,;40.1,-38.55,;41.43,-39.32,;40.1,-37.01,;38.76,-36.24,;37.4,-33.93,)|
Show InChI InChI=1S/C22H25FN4S/c1-14-3-9-18(10-4-14)25-19-13-16(11-12-24-19)21-20(26-22(27-21)28-2)15-5-7-17(23)8-6-15/h5-8,11-14,18H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,27)/t14-,18+
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n/an/a 31n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251935
PNG
(4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imidazo...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(Oc2ccc(C)cc2)c1
Show InChI InChI=1S/C22H18FN3OS/c1-14-3-9-18(10-4-14)27-19-13-16(11-12-24-19)21-20(25-22(26-21)28-2)15-5-7-17(23)8-6-15/h3-13H,1-2H3,(H,25,26)
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n/an/a 33n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251919
PNG
((1,2-Dimethyl-propyl)-{4-[2-methylsulfanyl-4-(3-tr...)
Show SMILES CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC(C)C(C)C)c1
Show InChI InChI=1S/C21H23F3N4S/c1-12(2)13(3)26-17-11-15(8-9-25-17)19-18(27-20(28-19)29-4)14-6-5-7-16(10-14)21(22,23)24/h5-13H,1-4H3,(H,25,26)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251983
PNG
(2-{4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imid...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(CO)C(C)C)c1
Show InChI InChI=1S/C20H23FN4OS/c1-12(2)16(11-26)23-17-10-14(8-9-22-17)19-18(24-20(25-19)27-3)13-4-6-15(21)7-5-13/h4-10,12,16,26H,11H2,1-3H3,(H,22,23)(H,24,25)
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n/an/a 34n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251930
PNG
(CHEMBL480952 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC2CCCO2)c1
Show InChI InChI=1S/C20H21FN4OS/c1-27-20-24-18(13-4-6-15(21)7-5-13)19(25-20)14-8-9-22-17(11-14)23-12-16-3-2-10-26-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,22,23)(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251918
PNG
(((R)-1-Cyclohexyl-ethyl)-{4-[2-methylsulfanyl-4-(3...)
Show SMILES CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(N[C@H](C)C2CCCCC2)c1 |r|
Show InChI InChI=1S/C24H27F3N4S/c1-15(16-7-4-3-5-8-16)29-20-14-18(11-12-28-20)22-21(30-23(31-22)32-2)17-9-6-10-19(13-17)24(25,26)27/h6,9-16H,3-5,7-8H2,1-2H3,(H,28,29)(H,30,31)/t15-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243761
PNG
(4-(1H-Indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-15(11-23-21(19)24)14-10-22-16-7-5-4-6-13(14)16/h4-10,22H,11H2,1-3H3,(H,23,24)
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n/an/a 37n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251941
PNG
(CHEMBL481944 | {4-[4-(4-Fluoro-phenyl)-3-(2-methox...)
Show SMILES COCCn1c(SC)nc(c1-c1ccnc(NC2CCOCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O2S/c1-29-14-11-28-22(21(27-23(28)31-2)16-3-5-18(24)6-4-16)17-7-10-25-20(15-17)26-19-8-12-30-13-9-19/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,25,26)
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n/an/a 38n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251990
PNG
(CHEMBL516460 | {4-[4-(4-Fluoro-phenyl)-3-(2-methox...)
Show SMILES COCCn1c(SC)nc(c1-c1ccnc(N[C@@H](C)c2ccccc2)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN4OS/c1-18(19-7-5-4-6-8-19)29-23-17-21(13-14-28-23)25-24(20-9-11-22(27)12-10-20)30-26(33-3)31(25)15-16-32-2/h4-14,17-18H,15-16H2,1-3H3,(H,28,29)/t18-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251939
PNG
(CHEMBL481943 | Cyclohexyl-{4-[4-(4-fluoro-phenyl)-...)
Show SMILES COCCn1c(SC)nc(c1-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN4OS/c1-30-15-14-29-23(22(28-24(29)31-2)17-8-10-19(25)11-9-17)18-12-13-26-21(16-18)27-20-6-4-3-5-7-20/h8-13,16,20H,3-7,14-15H2,1-2H3,(H,26,27)
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n/an/a 42n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251928
PNG
(2-{4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imid...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCO)c1
Show InChI InChI=1S/C17H17FN4OS/c1-24-17-21-15(11-2-4-13(18)5-3-11)16(22-17)12-6-7-19-14(10-12)20-8-9-23/h2-7,10,23H,8-9H2,1H3,(H,19,20)(H,21,22)
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n/an/a 45n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251911
PNG
(CHEMBL452471 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2cccs2)c1
Show InChI InChI=1S/C20H17FN4S2/c1-26-20-24-18(13-4-6-15(21)7-5-13)19(25-20)14-8-9-22-17(11-14)23-12-16-3-2-10-27-16/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
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n/an/a 46n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252663
PNG
(CHEMBL494879 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCc3ccccc23)c1
Show InChI InChI=1S/C25H23FN4S/c1-31-25-29-23(17-9-11-19(26)12-10-17)24(30-25)18-13-14-27-22(15-18)28-21-8-4-6-16-5-2-3-7-20(16)21/h2-3,5,7,9-15,21H,4,6,8H2,1H3,(H,27,28)(H,29,30)
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n/an/a 47n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251968
PNG
((1-Methyl-3-phenyl-propyl)-{4-[2-methylsulfanyl-4-...)
Show SMILES CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC(C)CCc2ccccc2)c1
Show InChI InChI=1S/C26H25F3N4S/c1-17(11-12-18-7-4-3-5-8-18)31-22-16-20(13-14-30-22)24-23(32-25(33-24)34-2)19-9-6-10-21(15-19)26(27,28)29/h3-10,13-17H,11-12H2,1-2H3,(H,30,31)(H,32,33)
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n/an/a 49n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251991
PNG
(CHEMBL521435 | {4-[4-(4-Fluoro-phenyl)-3-(2-methox...)
Show SMILES COCCn1c(SC)nc(c1-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4OS/c1-30-15-14-29-23(22(28-24(29)31-2)17-8-10-19(25)11-9-17)18-12-13-26-21(16-18)27-20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H,26,27)
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n/an/a 51n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50077974
PNG
(4-(4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl)py...)
Show SMILES Clc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16/h1-13H,(H,23,24)
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n/an/a 56n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF at 10 uM


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251962
PNG
(CHEMBL481882 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccco2)c1
Show InChI InChI=1S/C20H17FN4OS/c1-27-20-24-18(13-4-6-15(21)7-5-13)19(25-20)14-8-9-22-17(11-14)23-12-16-3-2-10-26-16/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
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n/an/a 60n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251920
PNG
(3-{4-[2-Methylsulfanyl-4-(3-trifluoromethyl-phenyl...)
Show SMILES CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NCCCO)c1
Show InChI InChI=1S/C19H19F3N4OS/c1-28-18-25-16(12-4-2-5-14(10-12)19(20,21)22)17(26-18)13-6-8-24-15(11-13)23-7-3-9-27/h2,4-6,8,10-11,27H,3,7,9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 61n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 62n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252616
PNG
(CHEMBL494666 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CCC(Nc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C24H23FN4S/c1-3-20(16-7-5-4-6-8-16)27-21-15-18(13-14-26-21)23-22(28-24(29-23)30-2)17-9-11-19(25)12-10-17/h4-15,20H,3H2,1-2H3,(H,26,27)(H,28,29)
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n/an/a 68n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251938
PNG
(CHEMBL479991 | {4-[4-(4-Fluoro-phenyl)-3-methyl-2-...)
Show SMILES CSc1nc(c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)n1C)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H23FN4S/c1-16(17-7-5-4-6-8-17)27-21-15-19(13-14-26-21)23-22(28-24(30-3)29(23)2)18-9-11-20(25)12-10-18/h4-16H,1-3H3,(H,26,27)/t16-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251964
PNG
(CHEMBL481883 | {4-[4-(4-Fluoro-phenyl)-2-methylsul...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccn2)c1
Show InChI InChI=1S/C21H18FN5S/c1-28-21-26-19(14-5-7-16(22)8-6-14)20(27-21)15-9-11-24-18(12-15)25-13-17-4-2-3-10-23-17/h2-12H,13H2,1H3,(H,24,25)(H,26,27)
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n/an/a 70n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251971
PNG
(CHEMBL481912 | Cyclohexylmethyl-{4-[4-(4-fluoro-ph...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC2CCCCC2)c1
Show InChI InChI=1S/C22H25FN4S/c1-28-22-26-20(16-7-9-18(23)10-8-16)21(27-22)17-11-12-24-19(13-17)25-14-15-5-3-2-4-6-15/h7-13,15H,2-6,14H2,1H3,(H,24,25)(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251898
PNG
(CHEMBL481965 | [2-(2,5-Dimethyl-phenyl)-ethyl]-{4-...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCc2cc(C)ccc2C)c1
Show InChI InChI=1S/C25H25FN4S/c1-16-4-5-17(2)19(14-16)10-12-27-22-15-20(11-13-28-22)24-23(29-25(30-24)31-3)18-6-8-21(26)9-7-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,27,28)(H,29,30)
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n/an/a 82n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251936
PNG
(2-Ethylsulfanyl-4-[4-(4-fluoro-phenyl)-2-methylsul...)
Show SMILES CCSc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H16FN3S2/c1-3-23-14-10-12(8-9-19-14)16-15(20-17(21-16)22-2)11-4-6-13(18)7-5-11/h4-10H,3H2,1-2H3,(H,20,21)
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n/an/a 87n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
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