Found 106 hits with Last Name = 'galullo' and Initial = 'vp' 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 14
(Homo sapiens (Human)) | BDBM50099331
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2 | 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
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38beta using KRELVEPLTPSGEAPNQALLR as substrate for 10 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382379
(CHEMBL420134)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(Cl)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)| Show InChI InChI=1S/C19H9Cl3FN3OS/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(23)8-13(15)22/h1-9H | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382379
(CHEMBL420134)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(Cl)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)| Show InChI InChI=1S/C19H9Cl3FN3OS/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(23)8-13(15)22/h1-9H | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382370
(CHEMBL326629)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,)| Show InChI InChI=1S/C19H10Cl2FN3OS/c20-13-2-1-3-14(21)17(13)18-15-8-9-16(24-25(15)10-23-19(18)26)27-12-6-4-11(22)5-7-12/h1-10H | 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 | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
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
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382370
(CHEMBL326629)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,)| Show InChI InChI=1S/C19H10Cl2FN3OS/c20-13-2-1-3-14(21)17(13)18-15-8-9-16(24-25(15)10-23-19(18)26)27-12-6-4-11(22)5-7-12/h1-10H | 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 | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382375
(CHEMBL117211)Show SMILES Oc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C19H11Cl2N3O2S/c20-11-4-3-5-12(21)17(11)18-13-8-9-16(23-24(13)10-22-19(18)26)27-15-7-2-1-6-14(15)25/h1-10,25H | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human whole blood assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382380
(CHEMBL115491)Show SMILES Cc1cc(Cl)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;16.76,-12.29,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C20H12Cl3N3OS/c1-11-9-12(21)5-7-16(11)28-17-8-6-15-19(20(27)24-10-26(15)25-17)18-13(22)3-2-4-14(18)23/h2-10H,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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382378
(CHEMBL431865)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1Cl |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)| Show InChI InChI=1S/C19H9Cl3FN3OS/c20-11-2-1-3-12(21)17(11)18-15-6-7-16(25-26(15)9-24-19(18)27)28-10-4-5-14(23)13(22)8-10/h1-9H | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382380
(CHEMBL115491)Show SMILES Cc1cc(Cl)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;16.76,-12.29,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C20H12Cl3N3OS/c1-11-9-12(21)5-7-16(11)28-17-8-6-15-19(20(27)24-10-26(15)25-17)18-13(22)3-2-4-14(18)23/h2-10H,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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382380
(CHEMBL115491)Show SMILES Cc1cc(Cl)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;16.76,-12.29,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C20H12Cl3N3OS/c1-11-9-12(21)5-7-16(11)28-17-8-6-15-19(20(27)24-10-26(15)25-17)18-13(22)3-2-4-14(18)23/h2-10H,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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human whole blood assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382357
(CHEMBL326089)Show SMILES Cc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C20H13Cl2N3OS/c1-12-5-2-3-8-16(12)27-17-10-9-15-19(20(26)23-11-25(15)24-17)18-13(21)6-4-7-14(18)22/h2-11H,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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382373
(CHEMBL324089)Show SMILES Cc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C20H13Cl2N3OS/c1-12-4-2-5-13(10-12)27-17-9-8-16-19(20(26)23-11-25(16)24-17)18-14(21)6-3-7-15(18)22/h2-11H,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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382358
(CHEMBL324091)Show SMILES Nc1cc(F)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(15.3,-10.95,;15.3,-12.49,;16.63,-13.26,;16.63,-14.82,;17.95,-15.6,;15.28,-15.57,;13.96,-14.8,;13.97,-13.26,;12.64,-12.49,;11.3,-13.26,;11.29,-14.8,;9.96,-15.56,;8.64,-14.79,;7.29,-15.56,;7.29,-17.1,;8.64,-17.85,;9.96,-17.08,;8.64,-19.39,;7.29,-20.16,;5.95,-19.39,;5.95,-17.85,;4.63,-17.08,;5.98,-14.79,;4.65,-15.54,;5.98,-13.25,;7.29,-12.48,;8.64,-13.25,;9.98,-12.48,)| Show InChI InChI=1S/C19H11Cl2FN4OS/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,23H2 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382369
(CHEMBL113806)Show SMILES Clc1cccc(Cl)c1-c1c2ccc(Sc3ccccc3)nn2cnc1=O |(8.77,-13.77,;7.45,-14.54,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;6.11,-13.77,;6.11,-12.23,;7.45,-11.46,;8.77,-12.23,;10.11,-11.49,;10.12,-9.95,;11.45,-9.18,;12.78,-9.96,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;8.79,-9.15,;7.45,-9.92,;6.11,-9.15,;4.79,-9.92,;4.79,-11.46,;3.46,-12.23,)| Show InChI InChI=1S/C19H11Cl2N3OS/c20-13-7-4-8-14(21)17(13)18-15-9-10-16(23-24(15)11-22-19(18)25)26-12-5-2-1-3-6-12/h1-11H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382381
(CHEMBL331361)Show SMILES Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(C)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)| Show InChI InChI=1S/C21H15Cl2N3OS/c1-12-6-8-17(13(2)10-12)28-18-9-7-16-20(21(27)24-11-26(16)25-18)19-14(22)4-3-5-15(19)23/h3-11H,1-2H3 | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382379
(CHEMBL420134)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(Cl)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)| Show InChI InChI=1S/C19H9Cl3FN3OS/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(23)8-13(15)22/h1-9H | 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 | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382372
(CHEMBL114430)Show SMILES Clc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C19H10Cl3N3OS/c20-11-3-1-4-12(9-11)27-16-8-7-15-18(19(26)23-10-25(15)24-16)17-13(21)5-2-6-14(17)22/h1-10H | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382358
(CHEMBL324091)Show SMILES Nc1cc(F)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(15.3,-10.95,;15.3,-12.49,;16.63,-13.26,;16.63,-14.82,;17.95,-15.6,;15.28,-15.57,;13.96,-14.8,;13.97,-13.26,;12.64,-12.49,;11.3,-13.26,;11.29,-14.8,;9.96,-15.56,;8.64,-14.79,;7.29,-15.56,;7.29,-17.1,;8.64,-17.85,;9.96,-17.08,;8.64,-19.39,;7.29,-20.16,;5.95,-19.39,;5.95,-17.85,;4.63,-17.08,;5.98,-14.79,;4.65,-15.54,;5.98,-13.25,;7.29,-12.48,;8.64,-13.25,;9.98,-12.48,)| Show InChI InChI=1S/C19H11Cl2FN4OS/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,23H2 | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382373
(CHEMBL324089)Show SMILES Cc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C20H13Cl2N3OS/c1-12-4-2-5-13(10-12)27-17-9-8-16-19(20(26)23-11-25(16)24-17)18-14(21)6-3-7-15(18)22/h2-11H,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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382370
(CHEMBL326629)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,)| Show InChI InChI=1S/C19H10Cl2FN3OS/c20-13-2-1-3-14(21)17(13)18-15-8-9-16(24-25(15)10-23-19(18)26)27-12-6-4-11(22)5-7-12/h1-10H | 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 | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382381
(CHEMBL331361)Show SMILES Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(C)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)| Show InChI InChI=1S/C21H15Cl2N3OS/c1-12-6-8-17(13(2)10-12)28-18-9-7-16-20(21(27)24-11-26(16)25-18)19-14(22)4-3-5-15(19)23/h3-11H,1-2H3 | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382357
(CHEMBL326089)Show SMILES Cc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C20H13Cl2N3OS/c1-12-5-2-3-8-16(12)27-17-10-9-15-19(20(26)23-11-25(15)24-17)18-13(21)6-4-7-14(18)22/h2-11H,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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382372
(CHEMBL114430)Show SMILES Clc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C19H10Cl3N3OS/c20-11-3-1-4-12(9-11)27-16-8-7-15-18(19(26)23-10-25(15)24-16)17-13(21)5-2-6-14(17)22/h1-10H | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382375
(CHEMBL117211)Show SMILES Oc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C19H11Cl2N3O2S/c20-11-4-3-5-12(21)17(11)18-13-8-9-16(23-24(13)10-22-19(18)26)27-15-7-2-1-6-14(15)25/h1-10,25H | 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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382356
(CHEMBL114121)Show SMILES Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 |(16.76,-12.29,;15.44,-11.5,;15.44,-9.96,;14.12,-9.19,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;12.77,-11.5,;14.1,-12.27,)| Show InChI InChI=1S/C20H13Cl2N3OS/c1-12-5-7-13(8-6-12)27-17-10-9-16-19(20(26)23-11-25(16)24-17)18-14(21)3-2-4-15(18)22/h2-11H,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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382369
(CHEMBL113806)Show SMILES Clc1cccc(Cl)c1-c1c2ccc(Sc3ccccc3)nn2cnc1=O |(8.77,-13.77,;7.45,-14.54,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;6.11,-13.77,;6.11,-12.23,;7.45,-11.46,;8.77,-12.23,;10.11,-11.49,;10.12,-9.95,;11.45,-9.18,;12.78,-9.96,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;8.79,-9.15,;7.45,-9.92,;6.11,-9.15,;4.79,-9.92,;4.79,-11.46,;3.46,-12.23,)| Show InChI InChI=1S/C19H11Cl2N3OS/c20-13-7-4-8-14(21)17(13)18-15-9-10-16(23-24(15)11-22-19(18)25)26-12-5-2-1-3-6-12/h1-11H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38beta kinase |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382371
(CHEMBL114962)Show SMILES Fc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C19H10Cl2FN3OS/c20-13-5-2-6-14(21)17(13)18-15-7-8-16(24-25(15)10-23-19(18)26)27-12-4-1-3-11(22)9-12/h1-10H | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382371
(CHEMBL114962)Show SMILES Fc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C19H10Cl2FN3OS/c20-13-5-2-6-14(21)17(13)18-15-7-8-16(24-25(15)10-23-19(18)26)27-12-4-1-3-11(22)9-12/h1-10H | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382369
(CHEMBL113806)Show SMILES Clc1cccc(Cl)c1-c1c2ccc(Sc3ccccc3)nn2cnc1=O |(8.77,-13.77,;7.45,-14.54,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;6.11,-13.77,;6.11,-12.23,;7.45,-11.46,;8.77,-12.23,;10.11,-11.49,;10.12,-9.95,;11.45,-9.18,;12.78,-9.96,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;8.79,-9.15,;7.45,-9.92,;6.11,-9.15,;4.79,-9.92,;4.79,-11.46,;3.46,-12.23,)| Show InChI InChI=1S/C19H11Cl2N3OS/c20-13-7-4-8-14(21)17(13)18-15-9-10-16(23-24(15)11-22-19(18)25)26-12-5-2-1-3-6-12/h1-11H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382378
(CHEMBL431865)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1Cl |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)| Show InChI InChI=1S/C19H9Cl3FN3OS/c20-11-2-1-3-12(21)17(11)18-15-6-7-16(25-26(15)9-24-19(18)27)28-10-4-5-14(23)13(22)8-10/h1-9H | 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 | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382375
(CHEMBL117211)Show SMILES Oc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)| Show InChI InChI=1S/C19H11Cl2N3O2S/c20-11-4-3-5-12(21)17(11)18-13-8-9-16(23-24(13)10-22-19(18)26)27-15-7-2-1-6-14(15)25/h1-10,25H | 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 | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382378
(CHEMBL431865)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1Cl |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)| Show InChI InChI=1S/C19H9Cl3FN3OS/c20-11-2-1-3-12(21)17(11)18-15-6-7-16(25-26(15)9-24-19(18)27)28-10-4-5-14(23)13(22)8-10/h1-9H | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382381
(CHEMBL331361)Show SMILES Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(C)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)| Show InChI InChI=1S/C21H15Cl2N3OS/c1-12-6-8-17(13(2)10-12)28-18-9-7-16-20(21(27)24-11-26(16)25-18)19-14(22)4-3-5-15(19)23/h3-11H,1-2H3 | 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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382371
(CHEMBL114962)Show SMILES Fc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C19H10Cl2FN3OS/c20-13-5-2-6-14(21)17(13)18-15-7-8-16(24-25(15)10-23-19(18)26)27-12-4-1-3-11(22)9-12/h1-10H | 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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382374
(CHEMBL2024530)Show SMILES CCc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(37.91,-20.54,;36.56,-19.78,;36.54,-18.24,;37.87,-17.46,;37.85,-15.92,;36.5,-15.17,;35.18,-15.95,;35.2,-17.49,;33.88,-18.28,;32.55,-17.5,;32.56,-15.96,;31.24,-15.17,;29.9,-15.93,;28.57,-15.15,;28.58,-13.61,;29.93,-12.85,;31.26,-13.63,;29.95,-11.31,;28.62,-10.53,;27.28,-11.28,;27.26,-12.82,;25.92,-13.58,;27.23,-15.9,;25.9,-15.12,;27.21,-17.44,;28.53,-18.23,;29.88,-17.47,;31.21,-18.25,)| Show InChI InChI=1S/C21H15Cl2N3OS/c1-2-13-6-3-4-9-17(13)28-18-11-10-16-20(21(27)24-12-26(16)25-18)19-14(22)7-5-8-15(19)23/h3-12H,2H2,1H3 | 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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382376
(CHEMBL114057)Show SMILES Clc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1Cl |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)| Show InChI InChI=1S/C19H9Cl4N3OS/c20-11-5-4-10(8-14(11)23)28-16-7-6-15-18(19(27)24-9-26(15)25-16)17-12(21)2-1-3-13(17)22/h1-9H | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382356
(CHEMBL114121)Show SMILES Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 |(16.76,-12.29,;15.44,-11.5,;15.44,-9.96,;14.12,-9.19,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;12.77,-11.5,;14.1,-12.27,)| Show InChI InChI=1S/C20H13Cl2N3OS/c1-12-5-7-13(8-6-12)27-17-10-9-16-19(20(26)23-11-25(16)24-17)18-14(21)3-2-4-15(18)22/h2-11H,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 | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382372
(CHEMBL114430)Show SMILES Clc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)| Show InChI InChI=1S/C19H10Cl3N3OS/c20-11-3-1-4-12(9-11)27-16-8-7-15-18(19(26)23-10-25(15)24-16)17-13(21)5-2-6-14(17)22/h1-10H | 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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382376
(CHEMBL114057)Show SMILES Clc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1Cl |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)| Show InChI InChI=1S/C19H9Cl4N3OS/c20-11-5-4-10(8-14(11)23)28-16-7-6-15-18(19(27)24-9-26(15)25-16)17-12(21)2-1-3-13(17)22/h1-9H | 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 | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382374
(CHEMBL2024530)Show SMILES CCc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(37.91,-20.54,;36.56,-19.78,;36.54,-18.24,;37.87,-17.46,;37.85,-15.92,;36.5,-15.17,;35.18,-15.95,;35.2,-17.49,;33.88,-18.28,;32.55,-17.5,;32.56,-15.96,;31.24,-15.17,;29.9,-15.93,;28.57,-15.15,;28.58,-13.61,;29.93,-12.85,;31.26,-13.63,;29.95,-11.31,;28.62,-10.53,;27.28,-11.28,;27.26,-12.82,;25.92,-13.58,;27.23,-15.9,;25.9,-15.12,;27.21,-17.44,;28.53,-18.23,;29.88,-17.47,;31.21,-18.25,)| Show InChI InChI=1S/C21H15Cl2N3OS/c1-2-13-6-3-4-9-17(13)28-18-11-10-16-20(21(27)24-12-26(16)25-18)19-14(22)7-5-8-15(19)23/h3-12H,2H2,1H3 | 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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382367
(CHEMBL2024528)Show SMILES Fc1cccc(c1-c1c2ccc(Sc3ccccc3)nn2cnc1=O)C(F)(F)F |(-.58,-40.36,;-1.91,-39.57,;-1.89,-38.03,;-3.22,-37.25,;-4.56,-38.01,;-4.58,-39.55,;-3.26,-40.33,;-3.27,-41.87,;-1.94,-42.65,;-.6,-41.9,;.72,-42.68,;.71,-44.22,;2.03,-45,;3.38,-44.25,;3.39,-42.71,;4.74,-41.95,;6.06,-42.74,;6.05,-44.28,;4.7,-45.03,;-.63,-44.98,;-1.96,-44.19,;-3.31,-44.95,;-4.63,-44.17,;-4.61,-42.63,;-5.94,-41.84,;-5.92,-38.78,;-5.92,-37.23,;-7.25,-39.55,;-7.26,-38.01,)| Show InChI InChI=1S/C20H11F4N3OS/c21-14-8-4-7-13(20(22,23)24)17(14)18-15-9-10-16(26-27(15)11-25-19(18)28)29-12-5-2-1-3-6-12/h1-11H | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50382358
(CHEMBL324091)Show SMILES Nc1cc(F)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(15.3,-10.95,;15.3,-12.49,;16.63,-13.26,;16.63,-14.82,;17.95,-15.6,;15.28,-15.57,;13.96,-14.8,;13.97,-13.26,;12.64,-12.49,;11.3,-13.26,;11.29,-14.8,;9.96,-15.56,;8.64,-14.79,;7.29,-15.56,;7.29,-17.1,;8.64,-17.85,;9.96,-17.08,;8.64,-19.39,;7.29,-20.16,;5.95,-19.39,;5.95,-17.85,;4.63,-17.08,;5.98,-14.79,;4.65,-15.54,;5.98,-13.25,;7.29,-12.48,;8.64,-13.25,;9.98,-12.48,)| Show InChI InChI=1S/C19H11Cl2FN4OS/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,23H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA |
ACS Med Chem Lett 2: 758-763 (2011)
Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19 |
More data for this
Ligand-Target Pair | |
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