Found 127 hits with Last Name = 'porter' and Initial = 'g' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222627
(CHEMBL356125)Show SMILES CC(C)N1CCC(CC1)c1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;10.62,.37,;9.27,-.4,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,;7.94,.37,;6.61,-.4,;5.28,.39,;5.28,1.91,;3.95,2.68,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;7.96,1.91,;9.29,2.68,)| Show InChI InChI=1S/C29H27Cl3N2O/c1-18(2)33-14-12-19(13-15-33)20-16-23(21-6-3-4-7-24(21)30)22-10-11-28(35)34(27(22)17-20)29-25(31)8-5-9-26(29)32/h3-11,16-19H,12-15H2,1-2H3 | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222624
(CHEMBL357598)Show SMILES Clc1ccccc1-c1nc(NC2CCNCC2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |(10.11,-3.62,;8.78,-4.39,;8.78,-5.93,;7.43,-6.7,;6.1,-5.93,;6.11,-4.39,;7.45,-3.62,;7.47,-2.1,;8.8,-1.33,;8.8,.21,;10.13,.97,;11.46,.2,;12.79,.97,;14.12,.19,;14.12,-1.36,;12.79,-2.12,;11.46,-1.34,;7.47,.98,;6.14,.23,;4.81,.98,;4.81,2.52,;6.14,3.29,;7.47,2.52,;6.14,4.85,;4.81,5.62,;3.48,4.83,;3.48,3.29,;2.15,2.54,;3.48,.23,;2.13,1,;3.46,-1.31,;4.79,-2.08,;6.14,-1.31,)| Show InChI InChI=1S/C25H21Cl3N4O/c26-18-5-2-1-4-16(18)24-17-8-9-23(33)32(25-19(27)6-3-7-20(25)28)21(17)14-22(31-24)30-15-10-12-29-13-11-15/h1-9,14-15,29H,10-13H2,(H,30,31) | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222629
(CHEMBL142187)Show SMILES CN1C2CCC1CC(C2)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl |THB:9:7:1:3.4| Show InChI InChI=1S/C28H27Cl3N4O/c1-34-18-9-10-19(34)12-16(11-18)33-17-13-21(20-5-2-3-6-23(20)29)22-15-32-28(36)35(26(22)14-17)27-24(30)7-4-8-25(27)31/h2-8,13-14,16,18-19,33H,9-12,15H2,1H3,(H,32,36) | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222628
(CHEMBL142697)Show SMILES CN1C2CCC1CC(C2)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |THB:9:7:1:3.4,(5,-1.84,;4,-.68,;2.5,-.29,;2.5,1.25,;3.83,2.03,;3.79,.89,;2.31,.48,;.98,1.25,;.96,-.29,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-4.34,4.36,;-3.01,3.57,;-4.34,5.9,;-5.69,6.67,;-7.02,5.88,;-7.02,4.36,;-8.35,3.59,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)| Show InChI InChI=1S/C28H25Cl3N4O/c1-34-17-9-10-18(34)14-16(13-17)32-25-15-24-20(27(33-25)19-5-2-3-6-21(19)29)11-12-26(36)35(24)28-22(30)7-4-8-23(28)31/h2-8,11-12,15-18H,9-10,13-14H2,1H3,(H,32,33) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122391
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-(pip...)Show SMILES Clc1ccccc1-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H23Cl3N4O/c26-20-5-2-1-4-17(20)18-12-16(31-15-8-10-29-11-9-15)13-23-19(18)14-30-25(33)32(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,15,29,31H,8-11,14H2,(H,30,33) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122389
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H27Cl3FN3O/c1-16(2)34-10-8-17(9-11-34)18-12-21(20-7-6-19(32)14-25(20)31)22-15-33-28(36)35(26(22)13-18)27-23(29)4-3-5-24(27)30/h3-7,12-14,16-17H,8-11,15H2,1-2H3,(H,33,36) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222619
(CHEMBL343682)Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.02,2.72,;4.04,1.18,;5.12,.09,;2.69,1.96,;1.38,1.19,;1.36,-.36,;2.69,-1.13,;1.35,-1.89,;4.02,-1.9,;4.02,-.36,;.03,1.96,;-1.3,1.19,;-2.63,1.96,;-3.96,1.21,;-5.29,1.96,;-5.29,3.5,;-3.94,4.27,;-2.61,3.5,;-3.94,5.83,;-5.29,6.6,;-6.62,5.81,;-6.62,4.27,;-7.95,3.52,;-6.62,1.21,;-7.97,1.98,;-6.63,-.33,;-5.3,-1.1,;-3.96,-.33,;-2.63,-1.12,;-1.3,-.35,;-2.64,-2.64,;-3.98,-3.41,;-3.99,-4.95,;-2.66,-5.72,;-1.32,-4.95,;-1.32,-3.41,;.01,-2.64,)| Show InChI InChI=1S/C29H29Cl3N4O/c1-28(2)15-17(16-29(3,4)35-28)33-24-14-23-19(26(34-24)18-8-5-6-9-20(18)30)12-13-25(37)36(23)27-21(31)10-7-11-22(27)32/h5-14,17,35H,15-16H2,1-4H3,(H,33,34) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222626
(CHEMBL142289)Show SMILES CC(C)N1CCC(CC1)c1cc2N(C(=O)CCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H28Cl3FN2O/c1-17(2)34-12-10-18(11-13-34)19-14-23(21-7-6-20(33)16-26(21)32)22-8-9-28(36)35(27(22)15-19)29-24(30)4-3-5-25(29)31/h3-7,14-18H,8-13H2,1-2H3 | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222621
(CHEMBL142463)Show SMILES CC(C)N1CCC(CC1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.95,-2.62,;4.95,-1.08,;6.3,-.33,;3.62,-.31,;2.29,-1.07,;.96,-.29,;.98,1.25,;2.31,2.02,;3.64,1.24,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-7.02,4.36,;-8.35,3.59,;-7.02,5.88,;-5.69,6.67,;-4.34,5.9,;-4.34,4.36,;-3.01,3.57,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)| Show InChI InChI=1S/C28H27Cl3N4O/c1-17(2)34-14-12-18(13-15-34)32-25-16-24-20(27(33-25)19-6-3-4-7-21(19)29)10-11-26(36)35(24)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3,(H,32,33) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222622
(CHEMBL358108)Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(17.27,-.44,;15.94,.34,;14.59,-.43,;15.92,-1.2,;13.26,-1.19,;13.26,.35,;13.28,1.91,;14.61,2.66,;15.94,1.88,;15.94,3.42,;17.03,.79,;11.95,2.68,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;5.3,4.99,;3.95,4.24,;5.3,6.53,;6.63,7.32,;7.96,6.53,;7.96,4.99,;9.29,4.22,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)| Show InChI InChI=1S/C30H31Cl3N4O/c1-29(2)16-18(17-30(3,4)36(29)5)34-25-15-24-20(27(35-25)19-9-6-7-10-21(19)31)13-14-26(38)37(24)28-22(32)11-8-12-23(28)33/h6-15,18H,16-17H2,1-5H3,(H,34,35) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222620
(CHEMBL356754)Show SMILES CC(C)N1CCC(CC1)c1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)| Show InChI InChI=1S/C28H26Cl3N3O/c1-17(2)33-14-12-18(13-15-33)24-16-25-20(27(32-24)19-6-3-4-7-21(19)29)10-11-26(35)34(25)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222625
(CHEMBL142050)Show SMILES CC(C)N1CCC(CC1)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H29Cl3N4O/c1-17(2)34-12-10-18(11-13-34)33-19-14-21(20-6-3-4-7-23(20)29)22-16-32-28(36)35(26(22)15-19)27-24(30)8-5-9-25(27)31/h3-9,14-15,17-18,33H,10-13,16H2,1-2H3,(H,32,36) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222623
(CHEMBL356994)Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H31Cl3N4O/c1-28(2)14-18(15-29(3,4)35-28)34-17-12-20(19-8-5-6-9-22(19)30)21-16-33-27(37)36(25(21)13-17)26-23(31)10-7-11-24(26)32/h5-13,18,34-35H,14-16H2,1-4H3,(H,33,37) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Turing Pharmaceuticals AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measur... |
ACS Med Chem Lett 7: 1124-1129 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00328
BindingDB Entry DOI: 10.7270/Q2Z60R1X |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222620
(CHEMBL356754)Show SMILES CC(C)N1CCC(CC1)c1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)| Show InChI InChI=1S/C28H26Cl3N3O/c1-17(2)33-14-12-18(13-15-33)24-16-25-20(27(32-24)19-6-3-4-7-21(19)29)10-11-26(35)34(25)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3 | PDB
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222627
(CHEMBL356125)Show SMILES CC(C)N1CCC(CC1)c1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;10.62,.37,;9.27,-.4,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,;7.94,.37,;6.61,-.4,;5.28,.39,;5.28,1.91,;3.95,2.68,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;7.96,1.91,;9.29,2.68,)| Show InChI InChI=1S/C29H27Cl3N2O/c1-18(2)33-14-12-19(13-15-33)20-16-23(21-6-3-4-7-24(21)30)22-10-11-28(35)34(27(22)17-20)29-25(31)8-5-9-26(29)32/h3-11,16-19H,12-15H2,1-2H3 | PDB
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122389
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H27Cl3FN3O/c1-16(2)34-10-8-17(9-11-34)18-12-21(20-7-6-19(32)14-25(20)31)22-15-33-28(36)35(26(22)13-18)27-23(29)4-3-5-24(27)30/h3-7,12-14,16-17H,8-11,15H2,1-2H3,(H,33,36) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122920
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122914
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9| Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122915
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16| Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50203246
(CHEMBL3953119 | US11530198, Example 2)Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2ccccc2)c(N)n1 Show InChI InChI=1S/C20H22N6/c21-19-18(14-23-20(22)24-19)26-11-9-25(10-12-26)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H4,21,22,23,24) | PDB
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| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Turing Pharmaceuticals AG
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP... |
ACS Med Chem Lett 7: 1124-1129 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00328
BindingDB Entry DOI: 10.7270/Q2Z60R1X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122916
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,1H3 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122915
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16| Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222619
(CHEMBL343682)Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.02,2.72,;4.04,1.18,;5.12,.09,;2.69,1.96,;1.38,1.19,;1.36,-.36,;2.69,-1.13,;1.35,-1.89,;4.02,-1.9,;4.02,-.36,;.03,1.96,;-1.3,1.19,;-2.63,1.96,;-3.96,1.21,;-5.29,1.96,;-5.29,3.5,;-3.94,4.27,;-2.61,3.5,;-3.94,5.83,;-5.29,6.6,;-6.62,5.81,;-6.62,4.27,;-7.95,3.52,;-6.62,1.21,;-7.97,1.98,;-6.63,-.33,;-5.3,-1.1,;-3.96,-.33,;-2.63,-1.12,;-1.3,-.35,;-2.64,-2.64,;-3.98,-3.41,;-3.99,-4.95,;-2.66,-5.72,;-1.32,-4.95,;-1.32,-3.41,;.01,-2.64,)| Show InChI InChI=1S/C29H29Cl3N4O/c1-28(2)15-17(16-29(3,4)35-28)33-24-14-23-19(26(34-24)18-8-5-6-9-20(18)30)12-13-25(37)36(23)27-21(31)10-7-11-22(27)32/h5-14,17,35H,15-16H2,1-4H3,(H,33,34) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222622
(CHEMBL358108)Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(17.27,-.44,;15.94,.34,;14.59,-.43,;15.92,-1.2,;13.26,-1.19,;13.26,.35,;13.28,1.91,;14.61,2.66,;15.94,1.88,;15.94,3.42,;17.03,.79,;11.95,2.68,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;5.3,4.99,;3.95,4.24,;5.3,6.53,;6.63,7.32,;7.96,6.53,;7.96,4.99,;9.29,4.22,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)| Show InChI InChI=1S/C30H31Cl3N4O/c1-29(2)16-18(17-30(3,4)36(29)5)34-25-15-24-20(27(35-25)19-9-6-7-10-21(19)31)13-14-26(38)37(24)28-22(32)11-8-12-23(28)33/h6-15,18H,16-17H2,1-5H3,(H,34,35) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122922
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)| Show InChI InChI=1S/C23H12Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-12H | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122914
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9| Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122908
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9| Show InChI InChI=1S/C24H18ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50203224
(CHEMBL3953069 | US11530198, Example 1)Show InChI InChI=1S/C14H16Cl2N6/c15-10-2-1-9(7-11(10)16)21-3-5-22(6-4-21)12-8-19-14(18)20-13(12)17/h1-2,7-8H,3-6H2,(H4,17,18,19,20) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Turing Pharmaceuticals AG
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP... |
ACS Med Chem Lett 7: 1124-1129 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00328
BindingDB Entry DOI: 10.7270/Q2Z60R1X |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222624
(CHEMBL357598)Show SMILES Clc1ccccc1-c1nc(NC2CCNCC2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |(10.11,-3.62,;8.78,-4.39,;8.78,-5.93,;7.43,-6.7,;6.1,-5.93,;6.11,-4.39,;7.45,-3.62,;7.47,-2.1,;8.8,-1.33,;8.8,.21,;10.13,.97,;11.46,.2,;12.79,.97,;14.12,.19,;14.12,-1.36,;12.79,-2.12,;11.46,-1.34,;7.47,.98,;6.14,.23,;4.81,.98,;4.81,2.52,;6.14,3.29,;7.47,2.52,;6.14,4.85,;4.81,5.62,;3.48,4.83,;3.48,3.29,;2.15,2.54,;3.48,.23,;2.13,1,;3.46,-1.31,;4.79,-2.08,;6.14,-1.31,)| Show InChI InChI=1S/C25H21Cl3N4O/c26-18-5-2-1-4-16(18)24-17-8-9-23(33)32(25-19(27)6-3-7-20(25)28)21(17)14-22(31-24)30-15-10-12-29-13-11-15/h1-9,14-15,29H,10-13H2,(H,30,31) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222629
(CHEMBL142187)Show SMILES CN1C2CCC1CC(C2)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl |THB:9:7:1:3.4| Show InChI InChI=1S/C28H27Cl3N4O/c1-34-18-9-10-19(34)12-16(11-18)33-17-13-21(20-5-2-3-6-23(20)29)22-15-32-28(36)35(26(22)14-17)27-24(30)7-4-8-25(27)31/h2-8,13-14,16,18-19,33H,9-12,15H2,1H3,(H,32,36) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122916
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,1H3 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM15244
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122918
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(F)c1 |(2.09,-8.15,;3.43,-7.39,;3.28,-5.85,;4.53,-4.95,;5.93,-5.59,;7.18,-4.69,;8.64,-5.17,;9.55,-3.93,;11.08,-3.78,;11.71,-2.38,;10.81,-1.13,;9.28,-1.28,;8.65,-2.67,;7.18,-3.15,;5.86,-2.37,;4.51,-3.14,;3.18,-2.36,;3.2,-.83,;1.87,-.05,;4.53,-.05,;5.87,-.82,;4.53,1.49,;5.87,2.26,;7.2,1.49,;5.87,3.8,;4.53,4.57,;3.2,3.8,;3.2,2.26,;1.85,1.49,;6.08,-7.11,;7.5,-7.74,;4.84,-8.02,)| Show InChI InChI=1S/C23H12Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-12H | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122920
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122908
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9| Show InChI InChI=1S/C24H18ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222628
(CHEMBL142697)Show SMILES CN1C2CCC1CC(C2)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |THB:9:7:1:3.4,(5,-1.84,;4,-.68,;2.5,-.29,;2.5,1.25,;3.83,2.03,;3.79,.89,;2.31,.48,;.98,1.25,;.96,-.29,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-4.34,4.36,;-3.01,3.57,;-4.34,5.9,;-5.69,6.67,;-7.02,5.88,;-7.02,4.36,;-8.35,3.59,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)| Show InChI InChI=1S/C28H25Cl3N4O/c1-34-17-9-10-18(34)14-16(13-17)32-25-15-24-20(27(33-25)19-5-2-3-6-21(19)29)11-12-26(36)35(24)28-22(30)7-4-8-23(28)31/h2-8,11-12,15-18H,9-10,13-14H2,1H3,(H,32,33) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222626
(CHEMBL142289)Show SMILES CC(C)N1CCC(CC1)c1cc2N(C(=O)CCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H28Cl3FN2O/c1-17(2)34-12-10-18(11-13-34)19-14-23(21-7-6-20(33)16-26(21)32)22-8-9-28(36)35(27(22)15-19)29-24(30)4-3-5-25(29)31/h3-7,14-18H,8-13H2,1-2H3 | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122913
(6-[2-(2,4-Difluoro-phenyl)-imidazo[1,2-a]pyridin-3...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F Show InChI InChI=1S/C24H16F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-14H,1H3 | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Mus musculus (mouse)) | BDBM50122916
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,1H3 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2) |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222625
(CHEMBL142050)Show SMILES CC(C)N1CCC(CC1)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H29Cl3N4O/c1-17(2)34-12-10-18(11-13-34)33-19-14-21(20-6-3-4-7-23(20)29)22-16-32-28(36)35(26(22)15-19)27-24(30)8-5-9-25(27)31/h3-9,14-15,17-18,33H,10-13,16H2,1-2H3,(H,32,36) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122391
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-(pip...)Show SMILES Clc1ccccc1-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H23Cl3N4O/c26-20-5-2-1-4-17(20)18-12-16(31-15-8-10-29-11-9-15)13-23-19(18)14-30-25(33)32(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,15,29,31H,8-11,14H2,(H,30,33) | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122911
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(Cl)c1 |t:16| Show InChI InChI=1S/C23H14Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Mus musculus (mouse)) | BDBM50122920
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3 | PDB
MMDB
Reactome pathway
KEGG
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2) |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122910
(2-(2,6-Dichloro-phenyl)-6-[2-(4-fluoro-phenyl)-imi...)Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)| Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-4-3-5-17(25)22(16)30-20(31)12-11-18(28-30)23-21(14-7-9-15(26)10-8-14)27-19-6-1-2-13-29(19)23/h1-13H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222621
(CHEMBL142463)Show SMILES CC(C)N1CCC(CC1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.95,-2.62,;4.95,-1.08,;6.3,-.33,;3.62,-.31,;2.29,-1.07,;.96,-.29,;.98,1.25,;2.31,2.02,;3.64,1.24,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-7.02,4.36,;-8.35,3.59,;-7.02,5.88,;-5.69,6.67,;-4.34,5.9,;-4.34,4.36,;-3.01,3.57,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)| Show InChI InChI=1S/C28H27Cl3N4O/c1-17(2)34-14-12-18(13-15-34)32-25-16-24-20(27(33-25)19-6-3-4-7-21(19)29)10-11-26(36)35(24)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of p38 kinase related TNF-alpha release |
Bioorg Med Chem Lett 13: 467-70 (2003)
BindingDB Entry DOI: 10.7270/Q22F7QM4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Mus musculus (mouse)) | BDBM50122915
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16| Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2) |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Mus musculus (mouse)) | BDBM50122922
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)| Show InChI InChI=1S/C23H12Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-12H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2) |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122913
(6-[2-(2,4-Difluoro-phenyl)-imidazo[1,2-a]pyridin-3...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F Show InChI InChI=1S/C24H16F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-14H,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122910
(2-(2,6-Dichloro-phenyl)-6-[2-(4-fluoro-phenyl)-imi...)Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)| Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-4-3-5-17(25)22(16)30-20(31)12-11-18(28-30)23-21(14-7-9-15(26)10-8-14)27-19-6-1-2-13-29(19)23/h1-13H | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
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