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Compile Data Set for Download or QSAR

Found 1036 hits with Last Name = 'smith' and Initial = 'kj'   
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))
BDBM50263211
PNG
(2-Cyclobutylamino-N-[4'-(cyclopropylmethyl-carbamo...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O2/c1-18-5-12-24(32-28(34)22-13-14-29-26(15-22)31-23-3-2-4-23)16-25(18)20-8-10-21(11-9-20)27(33)30-17-19-6-7-19/h5,8-16,19,23H,2-4,6-7,17H2,1H3,(H,29,31)(H,30,33)(H,32,34)
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263261
PNG
(5'-(3-Furan-3-yl-benzoylamino)-2'-methyl-biphenyl-...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)-c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H26N2O3/c1-19-5-12-26(31-29(33)24-4-2-3-23(15-24)25-13-14-34-18-25)16-27(19)21-8-10-22(11-9-21)28(32)30-17-20-6-7-20/h2-5,8-16,18,20H,6-7,17H2,1H3,(H,30,32)(H,31,33)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263295
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-[(3-ter...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C29H32N2O2/c1-19-8-11-23(28(33)31-25-7-5-6-24(17-25)29(2,3)4)16-26(19)21-12-14-22(15-13-21)27(32)30-18-20-9-10-20/h5-8,11-17,20H,9-10,18H2,1-4H3,(H,30,32)(H,31,33)
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1.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263129
PNG
(CHEMBL477182 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O2/c1-19-4-11-24(31-28(34)23-12-13-29-26(16-23)32-14-2-3-15-32)17-25(19)21-7-9-22(10-8-21)27(33)30-18-20-5-6-20/h4,7-13,16-17,20H,2-3,5-6,14-15,18H2,1H3,(H,30,33)(H,31,34)
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1.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262918
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCc1cccc(NS(C)(=O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C26H27N3O4S/c1-17-6-7-21(26(31)28-22-12-13-22)15-24(17)19-8-10-20(11-9-19)25(30)27-16-18-4-3-5-23(14-18)29-34(2,32)33/h3-11,14-15,22,29H,12-13,16H2,1-2H3,(H,27,30)(H,28,31)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263260
PNG
(5'-[3-(2,5-Dimethyl-pyrrol-1-yl)-benzoylamino]-2'-...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C31H31N3O2/c1-20-7-16-27(18-29(20)24-12-14-25(15-13-24)30(35)32-19-23-10-11-23)33-31(36)26-5-4-6-28(17-26)34-21(2)8-9-22(34)3/h4-9,12-18,23H,10-11,19H2,1-3H3,(H,32,35)(H,33,36)
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2.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263167
PNG
(3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-4'-carboxy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262974
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES CN1CCN(CC1)c1ccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)cc1
Show InChI InChI=1S/C30H34N4O2/c1-21-3-6-25(30(36)32-26-11-12-26)19-28(21)23-7-9-24(10-8-23)29(35)31-20-22-4-13-27(14-5-22)34-17-15-33(2)16-18-34/h3-10,13-14,19,26H,11-12,15-18,20H2,1-2H3,(H,31,35)(H,32,36)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263212
PNG
(2-Cyclohexylamino-N-[4'-(cyclopropylmethyl-carbamo...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CCCCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C30H34N4O2/c1-20-7-14-26(18-27(20)22-10-12-23(13-11-22)29(35)32-19-21-8-9-21)34-30(36)24-15-16-31-28(17-24)33-25-5-3-2-4-6-25/h7,10-18,21,25H,2-6,8-9,19H2,1H3,(H,31,33)(H,32,35)(H,34,36)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262917
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)c1
Show InChI InChI=1S/C26H26N2O3/c1-17-6-7-21(26(30)28-22-12-13-22)15-24(17)19-8-10-20(11-9-19)25(29)27-16-18-4-3-5-23(14-18)31-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,29)(H,28,30)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263168
PNG
(CHEMBL476351 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)
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4.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263210
PNG
(CHEMBL478234 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES CC(C)CNc1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H32N4O2/c1-18(2)16-30-26-14-23(12-13-29-26)28(34)32-24-11-4-19(3)25(15-24)21-7-9-22(10-8-21)27(33)31-17-20-5-6-20/h4,7-15,18,20H,5-6,16-17H2,1-3H3,(H,29,30)(H,31,33)(H,32,34)
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4.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262915
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-cy...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N)C(=O)NC1CC1
Show InChI InChI=1S/C25H21N3O2/c1-16-5-6-20(25(30)27-21-11-12-21)14-23(16)18-7-9-19(10-8-18)24(29)28-22-4-2-3-17(13-22)15-26/h2-10,13-14,21H,11-12H2,1H3,(H,27,30)(H,28,29)
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262867
PNG
(CHEMBL476542 | Thiophene-3-carboxylic acid [4'-(cy...)
Show SMILES Cc1ccc(NC(=O)c2ccsc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O2S/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263170
PNG
(2-Cyclopropylamino-N-[4'-(cyclopropylmethyl-carbam...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C27H28N4O2/c1-17-2-9-23(31-27(33)21-12-13-28-25(14-21)30-22-10-11-22)15-24(17)19-5-7-20(8-6-19)26(32)29-16-18-3-4-18/h2,5-9,12-15,18,22H,3-4,10-11,16H2,1H3,(H,28,30)(H,29,32)(H,31,33)
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5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262865
PNG
(CHEMBL477583 | Furan-3-carboxylic acid [4'-(cyclop...)
Show SMILES Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O3/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262868
PNG
(CHEMBL476543 | Isoxazole-5-carboxylic acid [4'-(cy...)
Show SMILES Cc1ccc(NC(=O)c2ccno2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C22H21N3O3/c1-14-2-9-18(25-22(27)20-10-11-24-28-20)12-19(14)16-5-7-17(8-6-16)21(26)23-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,23,26)(H,25,27)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263168
PNG
(CHEMBL476351 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263209
PNG
(2-(Cyclopropylmethyl-amino)-N-[4'-(cyclopropylmeth...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NCC3CC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O2/c1-18-2-11-24(32-28(34)23-12-13-29-26(14-23)30-16-19-3-4-19)15-25(18)21-7-9-22(10-8-21)27(33)31-17-20-5-6-20/h2,7-15,19-20H,3-6,16-17H2,1H3,(H,29,30)(H,31,33)(H,32,34)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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6.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262916
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)cc1
Show InChI InChI=1S/C25H24N2O3/c1-16-3-4-19(25(29)27-20-9-10-20)15-23(16)17-5-7-18(8-6-17)24(28)26-21-11-13-22(30-2)14-12-21/h3-8,11-15,20H,9-10H2,1-2H3,(H,26,28)(H,27,29)
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7n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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9n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263167
PNG
(3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-4'-carboxy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
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9n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263064
PNG
(CHEMBL478626 | Furan-3-carboxylic acid [6-chloro-4...)
Show SMILES Clc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C22H19ClN2O3/c23-20-8-7-18(25-22(27)17-9-10-28-13-17)11-19(20)15-3-5-16(6-4-15)21(26)24-12-14-1-2-14/h3-11,13-14H,1-2,12H2,(H,24,26)(H,25,27)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263296
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-cy...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N)C(=O)Nc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C33H24N4O2/c1-22-11-12-27(33(39)37-29-9-5-7-26(19-29)31-10-2-3-17-35-31)20-30(22)24-13-15-25(16-14-24)32(38)36-28-8-4-6-23(18-28)21-34/h2-20H,1H3,(H,36,38)(H,37,39)
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262822
PNG
(5'-Benzoylamino-2'-methyl-biphenyl-4-carboxylic ac...)
Show SMILES Cc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C25H24N2O2/c1-17-7-14-22(27-25(29)20-5-3-2-4-6-20)15-23(17)19-10-12-21(13-11-19)24(28)26-16-18-8-9-18/h2-7,10-15,18H,8-9,16H2,1H3,(H,26,28)(H,27,29)
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262822
PNG
(5'-Benzoylamino-2'-methyl-biphenyl-4-carboxylic ac...)
Show SMILES Cc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C25H24N2O2/c1-17-7-14-22(27-25(29)20-5-3-2-4-6-20)15-23(17)19-10-12-21(13-11-19)24(28)26-16-18-8-9-18/h2-7,10-15,18H,8-9,16H2,1H3,(H,26,28)(H,27,29)
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262673
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-cyclop...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H21N3O2S/c1-14-2-5-18(21(27)25-22-23-10-11-28-22)12-19(14)16-6-8-17(9-7-16)20(26)24-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,24,26)(H,23,25,27)
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14n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263128
PNG
(CHEMBL515318 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES CN(C)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C26H28N4O2/c1-17-4-11-22(29-26(32)21-12-13-27-24(14-21)30(2)3)15-23(17)19-7-9-20(10-8-19)25(31)28-16-18-5-6-18/h4,7-15,18H,5-6,16H2,1-3H3,(H,28,31)(H,29,32)
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14n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262865
PNG
(CHEMBL477583 | Furan-3-carboxylic acid [4'-(cyclop...)
Show SMILES Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O3/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262865
PNG
(CHEMBL477583 | Furan-3-carboxylic acid [4'-(cyclop...)
Show SMILES Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O3/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263169
PNG
(4-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4...)
Show SMILES CC1CCN(CC1)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C30H34N4O2/c1-20-12-15-34(16-13-20)28-17-25(11-14-31-28)30(36)33-26-10-3-21(2)27(18-26)23-6-8-24(9-7-23)29(35)32-19-22-4-5-22/h3,6-11,14,17-18,20,22H,4-5,12-13,15-16,19H2,1-2H3,(H,32,35)(H,33,36)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263279
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-cyclop...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1nncs1
Show InChI InChI=1S/C21H20N4O2S/c1-13-2-5-17(20(27)24-21-25-23-12-28-21)10-18(13)15-6-8-16(9-7-15)19(26)22-11-14-3-4-14/h2,5-10,12,14H,3-4,11H2,1H3,(H,22,26)(H,24,25,27)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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24n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263022
PNG
(6-Chloro-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Clc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21ClN2O2/c22-19-10-7-16(21(26)24-17-8-9-17)11-18(19)14-3-5-15(6-4-14)20(25)23-12-13-1-2-13/h3-7,10-11,13,17H,1-2,8-9,12H2,(H,23,25)(H,24,26)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262864
PNG
(CHEMBL477582 | Furan-2-carboxylic acid [4'-(cyclop...)
Show SMILES Cc1ccc(NC(=O)c2ccco2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O3/c1-15-4-11-19(25-23(27)21-3-2-12-28-21)13-20(15)17-7-9-18(10-8-17)22(26)24-14-16-5-6-16/h2-4,7-13,16H,5-6,14H2,1H3,(H,24,26)(H,25,27)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262866
PNG
(CHEMBL477791 | Thiophene-2-carboxylic acid [4'-(cy...)
Show SMILES Cc1ccc(NC(=O)c2cccs2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O2S/c1-15-4-11-19(25-23(27)21-3-2-12-28-21)13-20(15)17-7-9-18(10-8-17)22(26)24-14-16-5-6-16/h2-4,7-13,16H,5-6,14H2,1H3,(H,24,26)(H,25,27)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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36n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM25986
PNG
(N-(4-methanesulfonamidophenyl)-4-[2-methyl-5-(5-me...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H22N4O4S/c1-15-4-5-19(24-27-26-16(2)32-24)14-22(15)17-6-8-18(9-7-17)23(29)25-20-10-12-21(13-11-20)28-33(3,30)31/h4-14,28H,1-3H3,(H,25,29)
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40 -41.8 280n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM25987
PNG
(N-[(4-methanesulfonamidophenyl)methyl]-4-[2-methyl...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C25H24N4O4S/c1-16-4-7-21(25-28-27-17(2)33-25)14-23(16)19-8-10-20(11-9-19)24(30)26-15-18-5-12-22(13-6-18)29-34(3,31)32/h4-14,29H,15H2,1-3H3,(H,26,30)
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40 -41.8 280n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262782
PNG
(5'-Butyrylamino-2'-methyl-biphenyl-4-carboxylic ac...)
Show SMILES CCCC(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C22H26N2O2/c1-3-4-21(25)24-19-12-5-15(2)20(13-19)17-8-10-18(11-9-17)22(26)23-14-16-6-7-16/h5,8-13,16H,3-4,6-7,14H2,1-2H3,(H,23,26)(H,24,25)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262976
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCCCO)C(=O)NC1CC1
Show InChI InChI=1S/C21H24N2O3/c1-14-3-4-17(21(26)23-18-9-10-18)13-19(14)15-5-7-16(8-6-15)20(25)22-11-2-12-24/h3-8,13,18,24H,2,9-12H2,1H3,(H,22,25)(H,23,26)
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43n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92766
PNG
(PDF inhibitor, compound 8)
Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r|
Show InChI InChI=1S/C26H31ClN8O3S/c1-18-6-2-4-8-21(18)28-24-29-25(34-12-10-33(11-13-34)22-9-5-3-7-20(22)27)31-26(30-24)35-17-39-16-19(35)14-38-15-23(36)32-37/h2-9,19,37H,10-17H2,1H3,(H,32,36)(H,28,29,30,31)/t19-/m1/s1
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53.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM25989
PNG
(N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methy...)
Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
Show InChI InChI=1S/C25H23N3O3/c1-16-7-8-21(25-28-27-17(2)31-25)14-23(16)19-9-11-20(12-10-19)24(29)26-15-18-5-4-6-22(13-18)30-3/h4-14H,15H2,1-3H3,(H,26,29)
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60 -40.8 370n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262818
PNG
(5'-(2-Cyclopropyl-acetylamino)-2'-methyl-biphenyl-...)
Show SMILES Cc1ccc(NC(=O)CC2CC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H26N2O2/c1-15-2-11-20(25-22(26)12-16-3-4-16)13-21(15)18-7-9-19(10-8-18)23(27)24-14-17-5-6-17/h2,7-11,13,16-17H,3-6,12,14H2,1H3,(H,24,27)(H,25,26)
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70n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262618
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-cyclop...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c1-17-7-10-21(25(29)27-22-5-3-2-4-6-22)15-23(17)19-11-13-20(14-12-19)24(28)26-16-18-8-9-18/h2-7,10-15,18H,8-9,16H2,1H3,(H,26,28)(H,27,29)
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70n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262618
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-cyclop...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c1-17-7-10-21(25(29)27-22-5-3-2-4-6-22)15-23(17)19-11-13-20(14-12-19)24(28)26-16-18-8-9-18/h2-7,10-15,18H,8-9,16H2,1H3,(H,26,28)(H,27,29)
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73n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
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