Found 402 hits with Last Name = 'schollmeyer' and Initial = 'd' 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 |
|---|
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM27960
((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...)Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1 | PDB
MMDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 1 | -50.9 | 3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM27959
(4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]ami...)Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3 | PDB
MMDB
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| Article
PubMed
| 180 | -38.1 | 330 | n/a | 9.10 | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM27955
((-)-Zilpaterol | (9R,10R)-9-hydroxy-10-(propan-2-y...)Show SMILES CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O |r| Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1 | PDB
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PubMed
| 320 | -36.7 | 620 | n/a | 8.70 | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 | PDB
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| DrugBank
PDB
Article
PubMed
| 510 | -35.6 | 980 | n/a | 19 | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM27958
(1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...)Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3 | PDB
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| DrugBank
Article
PubMed
| 570 | -35.3 | 1.30E+3 | n/a | 6.20 | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM27956
((rac)-Zilpaterol | 9-hydroxy-10-(propan-2-ylamino)...)Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19) | PDB
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| 580 | -35.2 | 1.10E+3 | n/a | 13 | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM27957
((+)-Zilpaterol | (9S,10S)-9-hydroxy-10-(propan-2-y...)Show SMILES CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O |r| Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m0/s1 | PDB
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| 7.00E+3 | -29.1 | 1.70E+4 | n/a | 1.40E+5 | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM27955
((-)-Zilpaterol | (9R,10R)-9-hydroxy-10-(propan-2-y...)Show SMILES CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O |r| Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1 | PDB
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| 1.30E+5 | -22.0 | 3.20E+5 | n/a | >1.00E+6 | n/a | n/a | 7.4 | 22 |
Intervet Innovation GmbH
| Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c... |
J Med Chem 52: 1773-7 (2009)
Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343492
((S)-4-(4-(4-fluorophenyl)-2-(methylsulfinyl)-1H-im...)Show SMILES CC(C)Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)[S@](C)=O |r| Show InChI InChI=1S/C18H19FN4OS/c1-11(2)21-15-10-13(8-9-20-15)17-16(22-18(23-17)25(3)24)12-4-6-14(19)7-5-12/h4-11H,1-3H3,(H,20,21)(H,22,23)/t25-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343508
(4-(4-(4-Fluorophenyl)-2-(methylthio)-1H-imidazol-5...)Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)C)c1 Show InChI InChI=1S/C18H19FN4S/c1-11(2)21-15-10-13(8-9-20-15)17-16(22-18(23-17)24-3)12-4-6-14(19)7-5-12/h4-11H,1-3H3,(H,20,21)(H,22,23) | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM47167
(CHEMBL201511 | US8957103, Z1 | US9364459, A)Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13| Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25) | PDB
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| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 |
J Med Chem 51: 3814-24 (2008)
Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM47167
(CHEMBL201511 | US8957103, Z1 | US9364459, A)Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13| Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25) | PDB
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| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg-University
Curated by ChEMBL
| Assay Description
Inhibition of human VEGFR2 |
J Med Chem 49: 1271-81 (2006)
Article DOI: 10.1021/jm0580297
BindingDB Entry DOI: 10.7270/Q2CC108S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50398456
(CHEMBL2179119)Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1 Show InChI InChI=1S/C28H19FN4O/c29-20-10-6-18(7-11-20)25-26(33-27(32-25)19-8-12-21(34)13-9-19)22-14-15-30-28-23(22)16-24(31-28)17-4-2-1-3-5-17/h1-16,34H,(H,30,31)(H,32,33) | PDB
MMDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAPK |
J Med Chem 55: 8429-39 (2012)
Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343505
((S)-4-(4-(4-fluorophenyl)-2-(isopropylsulfinyl)-1H...)Show SMILES CC(C)Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)[S@@](=O)C(C)C |r| Show InChI InChI=1S/C20H23FN4OS/c1-12(2)23-17-11-15(9-10-22-17)19-18(14-5-7-16(21)8-6-14)24-20(25-19)27(26)13(3)4/h5-13H,1-4H3,(H,22,23)(H,24,25)/t27-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343507
(4-(4-(4-Fluorophenyl)-2-(isopropylthio)-1H-imidazo...)Show SMILES CC(C)Nc1cc(ccn1)-c1nc(SC(C)C)[nH]c1-c1ccc(F)cc1 Show InChI InChI=1S/C20H23FN4S/c1-12(2)23-17-11-15(9-10-22-17)19-18(14-5-7-16(21)8-6-14)24-20(25-19)26-13(3)4/h5-13H,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343506
((R)-4-(4-(4-fluorophenyl)-2-(isopropylsulfinyl)-1H...)Show SMILES CC(C)Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)[S@](=O)C(C)C |r| Show InChI InChI=1S/C20H23FN4OS/c1-12(2)23-17-11-15(9-10-22-17)19-18(14-5-7-16(21)8-6-14)24-20(25-19)27(26)13(3)4/h5-13H,1-4H3,(H,22,23)(H,24,25)/t27-/m1/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50251985
(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5...)Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C20H21FN4OS/c1-27-20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392175
(CHEMBL2152944)Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1 | PDB
MMDB
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CHEMBL
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MMDB
PC cid
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PDB
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Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392190
(CHEMBL2152960)Show SMILES OC[C@H](O)COc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1 |r| Show InChI InChI=1S/C24H21F2NO4/c25-16-3-8-23(22(26)11-16)27-17-4-6-20-14(9-17)1-2-15-10-19(31-13-18(29)12-28)5-7-21(15)24(20)30/h3-11,18,27-29H,1-2,12-13H2/t18-/m0/s1 | PDB
MMDB
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KEGG
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM47167
(CHEMBL201511 | US8957103, Z1 | US9364459, A)Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13| Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR3 |
J Med Chem 51: 3814-24 (2008)
Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343505
((S)-4-(4-(4-fluorophenyl)-2-(isopropylsulfinyl)-1H...)Show SMILES CC(C)Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)[S@@](=O)C(C)C |r| Show InChI InChI=1S/C20H23FN4OS/c1-12(2)23-17-11-15(9-10-22-17)19-18(14-5-7-16(21)8-6-14)24-20(25-19)27(26)13(3)4/h5-13H,1-4H3,(H,22,23)(H,24,25)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392177
(CHEMBL2152946)Show SMILES OC[C@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392172
(CHEMBL2152941)Show SMILES OCCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C24H21F2NO3/c25-17-5-9-23(22(26)13-17)27-18-6-8-20-16(12-18)3-2-15-4-7-19(30-11-1-10-28)14-21(15)24(20)29/h4-9,12-14,27-28H,1-3,10-11H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392169
(CHEMBL2152938)Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccc(OC[C@@H](O)CO)cc3C2=O)c1 |r| Show InChI InChI=1S/C24H24N2O4/c25-22-3-1-2-4-23(22)26-17-8-10-20-16(11-17)6-5-15-7-9-19(12-21(15)24(20)29)30-14-18(28)13-27/h1-4,7-12,18,26-28H,5-6,13-14,25H2/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392181
(CHEMBL2152950)Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCCN5CCOCC5)cc4C3=O)c2)c(F)c1 Show InChI InChI=1S/C28H28F2N2O3/c29-21-5-9-27(26(30)17-21)31-22-6-8-24-20(16-22)3-2-19-4-7-23(18-25(19)28(24)33)35-13-1-10-32-11-14-34-15-12-32/h4-9,16-18,31H,1-3,10-15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50398458
(CHEMBL2179117)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1 Show InChI InChI=1S/C29H21FN4OS/c1-36(35)22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAPK |
J Med Chem 55: 8429-39 (2012)
Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50330167
(2-(4-fluorophenyl)-N-(4-(4-(4-fluorophenyl)-2-(met...)Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C23H18F2N4OS/c1-31-23-28-21(15-4-8-18(25)9-5-15)22(29-23)16-10-11-26-19(13-16)27-20(30)12-14-2-6-17(24)7-3-14/h2-11,13H,12H2,1H3,(H,28,29)(H,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392178
(CHEMBL2152947)Show SMILES CC1(C)OC[C@@H](CCOc2ccc3CCc4cc(Nc5ccc(F)cc5F)ccc4C(=O)c3c2)O1 |r| Show InChI InChI=1S/C28H27F2NO4/c1-28(2)34-16-22(35-28)11-12-33-21-8-5-17-3-4-18-13-20(7-9-23(18)27(32)24(17)15-21)31-26-10-6-19(29)14-25(26)30/h5-10,13-15,22,31H,3-4,11-12,16H2,1-2H3/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392180
(CHEMBL2152949)Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)c(F)c1 Show InChI InChI=1S/C27H26F2N2O3/c28-20-4-8-26(25(29)16-20)30-21-5-7-23-19(15-21)2-1-18-3-6-22(17-24(18)27(23)32)34-14-11-31-9-12-33-13-10-31/h3-8,15-17,30H,1-2,9-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392179
(CHEMBL2152948)Show SMILES OC[C@H](O)CCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C25H23F2NO4/c26-17-4-8-24(23(27)12-17)28-18-5-7-21-16(11-18)2-1-15-3-6-20(13-22(15)25(21)31)32-10-9-19(30)14-29/h3-8,11-13,19,28-30H,1-2,9-10,14H2/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392171
(CHEMBL2152940)Show SMILES OCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C23H19F2NO3/c24-16-4-8-22(21(25)12-16)26-17-5-7-19-15(11-17)2-1-14-3-6-18(29-10-9-27)13-20(14)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343502
((R)-4-(4-(4-fluorophenyl)-2-(methylsulfinyl)-1H-im...)Show SMILES C[S@@](=O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1 |r| Show InChI InChI=1S/C20H21FN4O2S/c1-28(26)20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-27-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25)/t28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343504
((R)-N-cyclohexyl-4-(4-(4-fluorophenyl)-2-(isopropy...)Show SMILES CC(C)[S@@](=O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2)c1 |r| Show InChI InChI=1S/C23H27FN4OS/c1-15(2)30(29)23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28)/t30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50398457
(CHEMBL2179118)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1 Show InChI InChI=1S/C29H21FN4O2S/c1-37(35,36)22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAPK |
J Med Chem 55: 8429-39 (2012)
Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343493
((R)-4-(4-(4-fluorophenyl)-2-(methylsulfinyl)-1H-im...)Show SMILES CC(C)Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)[S@@](C)=O |r| Show InChI InChI=1S/C18H19FN4OS/c1-11(2)21-15-10-13(8-9-20-15)17-16(22-18(23-17)25(3)24)12-4-6-14(19)7-5-12/h4-11H,1-3H3,(H,20,21)(H,22,23)/t25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343487
((S)-4-(4-(4-fluorophenyl)-2-(methylsulfinyl)-1H-im...)Show SMILES C[S@](=O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1 |r| Show InChI InChI=1S/C20H21FN4O2S/c1-28(26)20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-27-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343489
(CHEMBL1773502 | N-Cyclohexyl-4-(4-(4-fluorophenyl)...)Show SMILES CC(C)Sc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C23H27FN4S/c1-15(2)29-23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50398464
(CHEMBL2179115)Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c(cc12)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C28H25FN4/c29-21-13-11-19(12-14-21)25-26(33-27(32-25)20-9-5-2-6-10-20)22-15-16-30-28-23(22)17-24(31-28)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2,(H,30,31)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAPK |
J Med Chem 55: 8429-39 (2012)
Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50398466
(CHEMBL2179128)Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H19FN4/c29-21-13-11-19(12-14-21)25-26(33-27(32-25)20-9-5-2-6-10-20)22-15-16-30-28-23(22)17-24(31-28)18-7-3-1-4-8-18/h1-17H,(H,30,31)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAPK |
J Med Chem 55: 8429-39 (2012)
Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343485
(4-(4-(4-fluorophenyl)-2-((S)-methylsulfinyl)-1H-im...)Show SMILES CC(C)[C@H](C)Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)[S@](C)=O |r| Show InChI InChI=1S/C20H23FN4OS/c1-12(2)13(3)23-17-11-15(9-10-22-17)19-18(24-20(25-19)27(4)26)14-5-7-16(21)8-6-14/h5-13H,1-4H3,(H,22,23)(H,24,25)/t13-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343488
(CHEMBL1773421 | rac-N-Cyclohexyl-4-(4-(4-fluorophe...)Show SMILES CC(C)S(=O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C23H27FN4OS/c1-15(2)30(29)23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50343486
(4-(4-(4-fluorophenyl)-2-((R)-methylsulfinyl)-1H-im...)Show SMILES CC(C)[C@H](C)Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)[S@@](C)=O |r| Show InChI InChI=1S/C20H23FN4OS/c1-12(2)13(3)23-17-11-15(9-10-22-17)19-18(24-20(25-19)27(4)26)14-5-7-16(21)8-6-14/h5-13H,1-4H3,(H,22,23)(H,24,25)/t13-,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tu£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay |
J Med Chem 54: 3283-97 (2011)
Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392161
(CHEMBL2152793)Show InChI InChI=1S/C21H15F2NO2/c22-14-4-8-20(19(23)10-14)24-15-5-7-17-13(9-15)2-1-12-3-6-16(25)11-18(12)21(17)26/h3-11,24-25H,1-2H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392191
(CHEMBL2152961)Show SMILES Fc1ccc(Nc2ccc3c(CCc4cc(OCCN5CCOCC5)ccc4C3=O)c2)c(F)c1 Show InChI InChI=1S/C27H26F2N2O3/c28-20-3-8-26(25(29)17-20)30-21-4-6-23-18(15-21)1-2-19-16-22(5-7-24(19)27(23)32)34-14-11-31-9-12-33-13-10-31/h3-8,15-17,30H,1-2,9-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392167
(CHEMBL2152936)Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccc(OC[C@H](O)CO)cc3C2=O)c1 |r| Show InChI InChI=1S/C24H24N2O4/c25-22-3-1-2-4-23(22)26-17-8-10-20-16(11-17)6-5-15-7-9-19(12-21(15)24(20)29)30-14-18(28)13-27/h1-4,7-12,18,26-28H,5-6,13-14,25H2/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392185
(CHEMBL2152955)Show SMILES OCCOc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1 Show InChI InChI=1S/C23H19F2NO3/c24-16-3-8-22(21(25)13-16)26-17-4-6-19-14(11-17)1-2-15-12-18(29-10-9-27)5-7-20(15)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392187
(CHEMBL2152957)Show SMILES CC1(C)OC[C@H](COc2ccc3c(CCc4cc(Nc5ccc(F)cc5F)ccc4C3=O)c2)O1 |r| Show InChI InChI=1S/C27H25F2NO4/c1-27(2)33-15-21(34-27)14-32-20-7-9-23-17(12-20)4-3-16-11-19(6-8-22(16)26(23)31)30-25-10-5-18(28)13-24(25)29/h5-13,21,30H,3-4,14-15H2,1-2H3/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392198
(CHEMBL2152969)Show SMILES OC[C@@H](O)COc1cccc2c1CCc1cc(Nc3ccc(F)cc3F)ccc1C2=O |r| Show InChI InChI=1S/C24H21F2NO4/c25-15-5-9-22(21(26)11-15)27-16-6-8-18-14(10-16)4-7-19-20(24(18)30)2-1-3-23(19)31-13-17(29)12-28/h1-3,5-6,8-11,17,27-29H,4,7,12-13H2/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50392148
(CHEMBL2152778)Show InChI InChI=1S/C22H17F2NO2/c1-27-17-7-4-13-2-3-14-10-16(6-8-18(14)22(26)19(13)12-17)25-21-9-5-15(23)11-20(21)24/h4-12,25H,2-3H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay |
J Med Chem 55: 5868-77 (2012)
Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ |
More data for this
Ligand-Target Pair | |
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