Found 61 hits with Last Name = 'djung' and Initial = 'jf' 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)) | BDBM50474810
(CHEMBL92082)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474810
(CHEMBL92082)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474826
(CHEMBL330282)Show SMILES CC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O/c1-3-13(2)23-20-22-10-9-16(24-20)18-17(14-5-7-15(21)8-6-14)19(27)26-12-4-11-25(18)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474810
(CHEMBL92082)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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CHEMBL
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry |
Bioorg Med Chem 19: 2742-50 (2011)
Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474831
(CHEMBL92415)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(Cl)cccc3Cl)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H16Cl2FN5O/c23-15-3-1-4-16(24)19(15)28-22-26-10-9-17(27-22)20-18(13-5-7-14(25)8-6-13)21(31)30-12-2-11-29(20)30/h1,3-10H,2,11-12H2,(H,26,27,28) | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474829
(CHEMBL433211)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(F)cccc3F)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H16F3N5O/c23-14-7-5-13(6-8-14)18-20(29-11-2-12-30(29)21(18)31)17-9-10-26-22(27-17)28-19-15(24)3-1-4-16(19)25/h1,3-10H,2,11-12H2,(H,26,27,28) | PDB
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antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474817
(CHEMBL93281)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C(C)(C)O Show InChI InChI=1S/C21H24FN5O2/c1-13(21(2,3)29)24-20-23-10-9-16(25-20)18-17(14-5-7-15(22)8-6-14)19(28)27-12-4-11-26(18)27/h5-10,13,29H,4,11-12H2,1-3H3,(H,23,24,25)/t13-/m0/s1 | PDB
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antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474810
(CHEMBL92082)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Mitogen-activated protein kinase p38 |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474811
(CHEMBL316065)Show SMILES COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O2/c1-13(12-28-2)23-20-22-9-8-16(24-20)18-17(14-4-6-15(21)7-5-14)19(27)26-11-3-10-25(18)26/h4-9,13H,3,10-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474817
(CHEMBL93281)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C(C)(C)O Show InChI InChI=1S/C21H24FN5O2/c1-13(21(2,3)29)24-20-23-10-9-16(25-20)18-17(14-5-7-15(22)8-6-14)19(28)27-12-4-11-26(18)27/h5-10,13,29H,4,11-12H2,1-3H3,(H,23,24,25)/t13-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474834
(CHEMBL90182)Show SMILES CC(C)(C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O/c1-20(2,3)24-19-22-10-9-15(23-19)17-16(13-5-7-14(21)8-6-13)18(27)26-12-4-11-25(17)26/h5-10H,4,11-12H2,1-3H3,(H,22,23,24) | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474830
(CHEMBL90597)Show SMILES C[C@@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474811
(CHEMBL316065)Show SMILES COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O2/c1-13(12-28-2)23-20-22-9-8-16(24-20)18-17(14-4-6-15(21)7-5-14)19(27)26-11-3-10-25(18)26/h4-9,13H,3,10-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Mitogen-activated protein kinase p38 |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474812
(CHEMBL93282)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12)c1ccccc1 Show InChI InChI=1S/C25H24FN5O/c1-17(18-7-3-2-4-8-18)28-25-27-14-13-21(29-25)23-22(19-9-11-20(26)12-10-19)24(32)31-16-6-5-15-30(23)31/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,27,28,29)/t17-/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474820
(CHEMBL90071)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCC=C)n2)n2CCCn2c1=O Show InChI InChI=1S/C19H18FN5O/c1-2-9-21-19-22-10-8-15(23-19)17-16(13-4-6-14(20)7-5-13)18(26)25-12-3-11-24(17)25/h2,4-8,10H,1,3,9,11-12H2,(H,21,22,23) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry |
Bioorg Med Chem 19: 2742-50 (2011)
Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474813
(CHEMBL328077)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccc(C)cc1 Show InChI InChI=1S/C25H24FN5O/c1-16-4-6-18(7-5-16)17(2)28-25-27-13-12-21(29-25)23-22(19-8-10-20(26)11-9-19)24(32)31-15-3-14-30(23)31/h4-13,17H,3,14-15H2,1-2H3,(H,27,28,29)/t17-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474827
(CHEMBL93857)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C1CCCCC1 Show InChI InChI=1S/C24H28FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h8-13,16-17H,2-7,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474811
(CHEMBL316065)Show SMILES COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O2/c1-13(12-28-2)23-20-22-9-8-16(24-20)18-17(14-4-6-15(21)7-5-14)19(27)26-11-3-10-25(18)26/h4-9,13H,3,10-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474817
(CHEMBL93281)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C(C)(C)O Show InChI InChI=1S/C21H24FN5O2/c1-13(21(2,3)29)24-20-23-10-9-16(25-20)18-17(14-5-7-15(22)8-6-14)19(28)27-12-4-11-26(18)27/h5-10,13,29H,4,11-12H2,1-3H3,(H,23,24,25)/t13-/m0/s1 | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50165872
(CHEMBL196369 | [4-(4-Fluoro-phenyl)-5-oxo-3-(2-phe...)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Oc3ccccc3)n2)n(CC=O)oc1=O Show InChI InChI=1S/C21H14FN3O4/c22-15-8-6-14(7-9-15)18-19(25(12-13-26)29-20(18)27)17-10-11-23-21(24-17)28-16-4-2-1-3-5-16/h1-11,13H,12H2 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 15: 2399-403 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.066
BindingDB Entry DOI: 10.7270/Q29P316J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474811
(CHEMBL316065)Show SMILES COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O2/c1-13(12-28-2)23-20-22-9-8-16(24-20)18-17(14-4-6-15(21)7-5-14)19(27)26-11-3-10-25(18)26/h4-9,13H,3,10-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474817
(CHEMBL93281)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C(C)(C)O Show InChI InChI=1S/C21H24FN5O2/c1-13(21(2,3)29)24-20-23-10-9-16(25-20)18-17(14-5-7-15(22)8-6-14)19(28)27-12-4-11-26(18)27/h5-10,13,29H,4,11-12H2,1-3H3,(H,23,24,25)/t13-/m0/s1 | PDB
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Mitogen-activated protein kinase p38 |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50045333
(CHEBI:90705 | SB-203580)Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474824
(CHEMBL94171)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCc3ccccc3)n2)n2CCCn2c1=O Show InChI InChI=1S/C23H20FN5O/c24-18-9-7-17(8-10-18)20-21(28-13-4-14-29(28)22(20)30)19-11-12-25-23(27-19)26-15-16-5-2-1-3-6-16/h1-3,5-12H,4,13-15H2,(H,25,26,27) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474818
(CHEMBL94178)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NC3CC3)n2)n2CCCn2c1=O Show InChI InChI=1S/C19H18FN5O/c20-13-4-2-12(3-5-13)16-17(24-10-1-11-25(24)18(16)26)15-8-9-21-19(23-15)22-14-6-7-14/h2-5,8-9,14H,1,6-7,10-11H2,(H,21,22,23) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474825
(CHEMBL419874)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3ccccc3)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H18FN5O/c23-16-9-7-15(8-10-16)19-20(27-13-4-14-28(27)21(19)29)18-11-12-24-22(26-18)25-17-5-2-1-3-6-17/h1-3,5-12H,4,13-14H2,(H,24,25,26) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50165877
(2-Ethoxymethyl-4-(4-fluoro-phenyl)-3-[2-((S)-1-phe...)Show SMILES CCOCn1oc(=O)c(c1-c1ccnc(N[C@@H](C)c2ccccc2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN4O3/c1-3-31-15-29-22(21(23(30)32-29)18-9-11-19(25)12-10-18)20-13-14-26-24(28-20)27-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,26,27,28)/t16-/m0/s1 | PDB
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Reactome pathway
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| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 15: 2399-403 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.066
BindingDB Entry DOI: 10.7270/Q29P316J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474816
(CHEMBL90424)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCC3CC3)n2)n2CCCn2c1=O Show InChI InChI=1S/C20H20FN5O/c21-15-6-4-14(5-7-15)17-18(25-10-1-11-26(25)19(17)27)16-8-9-22-20(24-16)23-12-13-2-3-13/h4-9,13H,1-3,10-12H2,(H,22,23,24) | PDB
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| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50342212
(1-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(4-p...)Show SMILES CN(C)CCCn1cc(NC(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31) | PDB
MMDB
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Reactome pathway
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| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry |
Bioorg Med Chem 19: 2742-50 (2011)
Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474815
(CHEMBL93795)Show SMILES CC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12 Show InChI InChI=1S/C21H24FN5O/c1-3-14(2)24-21-23-11-10-17(25-21)19-18(15-6-8-16(22)9-7-15)20(28)27-13-5-4-12-26(19)27/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,24,25)/t14-/m0/s1 | PDB
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| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474821
(CHEMBL328756)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCc3cccnc3)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H19FN6O/c23-17-6-4-16(5-7-17)19-20(28-11-2-12-29(28)21(19)30)18-8-10-25-22(27-18)26-14-15-3-1-9-24-13-15/h1,3-10,13H,2,11-12,14H2,(H,25,26,27) | PDB
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| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474819
(CHEMBL90581)Show SMILES COC(=O)[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C25H22FN5O3/c1-34-24(33)21(17-6-3-2-4-7-17)29-25-27-13-12-19(28-25)22-20(16-8-10-18(26)11-9-16)23(32)31-15-5-14-30(22)31/h2-4,6-13,21H,5,14-15H2,1H3,(H,27,28,29)/t21-/m1/s1 | PDB
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| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Methionine aminopeptidase
(Escherichia coli (strain K12)) | BDBM17853
(3,5-Pyrazolediamine Inhibitor, 3 | 3-imino-4-[(E)-...)Show SMILES FC(F)(F)c1cccc(NN=c2c(=N)nnc2=N)c1 |(.72,8.79,;2.05,8.02,;2.82,9.36,;3.38,7.25,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)| Show InChI InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | 7.5 | 30 |
The Procter & Gamble Pharmaceuticals
| Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an... |
Proteins 66: 538-46 (2007)
Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Methionine aminopeptidase
(Escherichia coli (strain K12)) | BDBM17854
(3,5-Pyrazolediamine Inhibitor, 4 | 3-imino-4-[(E)-...)Show SMILES FC(F)(F)c1ccccc1NN=c1c(=N)nnc1=N |(-1.8,9.36,;-1.03,8.02,;.3,8.79,;-2.36,7.25,;-.26,6.69,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,)| Show InChI InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | 7.5 | 30 |
The Procter & Gamble Pharmaceuticals
| Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an... |
Proteins 66: 538-46 (2007)
Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474828
(CHEMBL327477)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12)C(C)(C)O Show InChI InChI=1S/C22H26FN5O2/c1-14(22(2,3)30)25-21-24-11-10-17(26-21)19-18(15-6-8-16(23)9-7-15)20(29)28-13-5-4-12-27(19)28/h6-11,14,30H,4-5,12-13H2,1-3H3,(H,24,25,26)/t14-/m0/s1 | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474822
(CHEMBL90343)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCc3ccccn3)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H19FN6O/c23-16-7-5-15(6-8-16)19-20(28-12-3-13-29(28)21(19)30)18-9-11-25-22(27-18)26-14-17-4-1-2-10-24-17/h1-2,4-11H,3,12-14H2,(H,25,26,27) | PDB
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| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474833
(CHEMBL329769)Show SMILES COCCCNc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O2/c1-28-13-2-9-22-20-23-10-8-16(24-20)18-17(14-4-6-15(21)7-5-14)19(27)26-12-3-11-25(18)26/h4-8,10H,2-3,9,11-13H2,1H3,(H,22,23,24) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50165882
(2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROX...)Show SMILES CCOCn1oc(=O)c(c1-c1ccnc(Oc2ccccc2O)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 15: 2399-403 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.066
BindingDB Entry DOI: 10.7270/Q29P316J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474814
(CHEMBL329910)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(Cl)ncnc3Cl)n2)n2CCCn2c1=O Show InChI InChI=1S/C20H14Cl2FN7O/c21-17-15(18(22)26-10-25-17)28-20-24-7-6-13(27-20)16-14(11-2-4-12(23)5-3-11)19(31)30-9-1-8-29(16)30/h2-7,10H,1,8-9H2,(H,24,27,28) | PDB
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| Article
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| n/a | n/a | 476 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50165869
(2-Ethoxymethyl-4-(4-fluoro-phenyl)-3-[2-(3-hydroxy...)Show SMILES CCOCn1oc(=O)c(c1-c1ccnc(Oc2cccc(O)c2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-6-8-15(23)9-7-14)18-10-11-24-22(25-18)30-17-5-3-4-16(27)12-17/h3-12,27H,2,13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 15: 2399-403 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.066
BindingDB Entry DOI: 10.7270/Q29P316J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474832
(CHEMBL330544)Show SMILES COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12 Show InChI InChI=1S/C21H24FN5O2/c1-14(13-29-2)24-21-23-10-9-17(25-21)19-18(15-5-7-16(22)8-6-15)20(28)27-12-4-3-11-26(19)27/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,24,25)/t14-/m0/s1 | PDB
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| Article
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| n/a | n/a | 543 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Methionine aminopeptidase
(Escherichia coli (strain K12)) | BDBM17856
(3,5-Pyrazolediamine Inhibitor, 6 | 4-[(E)-2-(3-chl...)Show SMILES Cc1c(Cl)cccc1NN=c1c(=N)nnc1=N |(-1.03,8.02,;-.26,6.69,;1.28,6.69,;2.05,8.02,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,)| Show InChI InChI=1S/C10H9ClN6/c1-5-6(11)3-2-4-7(5)14-15-8-9(12)16-17-10(8)13/h2-4,12-14H,1H3 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | 7.5 | 30 |
The Procter & Gamble Pharmaceuticals
| Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an... |
Proteins 66: 538-46 (2007)
Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q |
More data for this
Ligand-Target Pair | |
Methionine aminopeptidase
(Escherichia coli (strain K12)) | BDBM17855
(3,5-Pyrazolediamine Inhibitor, 5 | 4-[(E)-2-(3-flu...)Show SMILES Fc1cccc(NN=c2c(=N)nnc2=N)c1 |(2.05,8.02,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)| Show InChI InChI=1S/C9H7FN6/c10-5-2-1-3-6(4-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H | PDB
MMDB
KEGG
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| PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | 7.5 | 30 |
The Procter & Gamble Pharmaceuticals
| Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an... |
Proteins 66: 538-46 (2007)
Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q |
More data for this
Ligand-Target Pair | |
Methionine aminopeptidase
(Escherichia coli (strain K12)) | BDBM17857
(3,5-Pyrazolediamine Inhibitor, 7 | 4-[(E)-2-(4-flu...)Show SMILES Fc1ccc(NN=c2c(=N)nnc2=N)cc1 |(3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)| Show InChI InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H | PDB
MMDB
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| PC cid
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| PDB
Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | 7.5 | 30 |
The Procter & Gamble Pharmaceuticals
| Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an... |
Proteins 66: 538-46 (2007)
Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474823
(CHEMBL330254)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3ccccn3)n2)n2CCCn2c1=O Show InChI InChI=1S/C21H17FN6O/c22-15-7-5-14(6-8-15)18-19(27-12-3-13-28(27)20(18)29)16-9-11-24-21(25-16)26-17-4-1-2-10-23-17/h1-2,4-11H,3,12-13H2,(H,23,24,25,26) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Methionine aminopeptidase
(Escherichia coli (strain K12)) | BDBM17858
(3,5-Pyrazolediamine Inhibitor, 8 | 4-[(E)-2-(4-chl...)Show SMILES Clc1ccc(NN=c2c(=N)nnc2=N)cc1 |(3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)| Show InChI InChI=1S/C9H7ClN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H | PDB
MMDB
KEGG
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DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
The Procter & Gamble Pharmaceuticals
| Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an... |
Proteins 66: 538-46 (2007)
Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q |
More data for this
Ligand-Target Pair | |
Methionine aminopeptidase
(Escherichia coli (strain K12)) | BDBM17859
(3,5-Pyrazolediamine Inhibitor, 9 | 3-imino-4-[(E)-...)Show SMILES COc1ccc(NN=c2c(=N)nnc2=N)cc1 |(4.36,4.02,;3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)| Show InChI InChI=1S/C10H10N6O/c1-17-7-4-2-6(3-5-7)13-14-8-9(11)15-16-10(8)12/h2-5,11-13H,1H3 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
The Procter & Gamble Pharmaceuticals
| Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an... |
Proteins 66: 538-46 (2007)
Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50165867
(2-Ethoxymethyl-4-(4-fluoro-phenyl)-3-[2-((R)-1-phe...)Show SMILES CCOCn1oc(=O)c(c1-c1ccnc(N[C@H](C)c2ccccc2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN4O3/c1-3-31-15-29-22(21(23(30)32-29)18-9-11-19(25)12-10-18)20-13-14-26-24(28-20)27-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,26,27,28)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 15: 2399-403 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.066
BindingDB Entry DOI: 10.7270/Q29P316J |
More data for this
Ligand-Target Pair | |
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