Found 16 hits of Enzyme Inhibition Constant Data 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)) | 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
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 | 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)) | 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)) | 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)) | 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)) | BDBM50398459
(CHEMBL2179116)Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1 Show InChI InChI=1S/C29H21FN4S/c1-35-22-13-9-20(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 | 39 | 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)) | BDBM50398460
(CHEMBL2179121)Show SMILES COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1 Show InChI InChI=1S/C29H21FN4O/c1-35-22-13-9-20(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 | 70 | 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)) | BDBM50398468
(CHEMBL2179124)Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]ccc12)-c1ccccc1 Show InChI InChI=1S/C22H15FN4/c23-16-8-6-14(7-9-16)19-20(17-10-12-24-22-18(17)11-13-25-22)27-21(26-19)15-4-2-1-3-5-15/h1-13H,(H,24,25)(H,26,27) | 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 | 108 | 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)) | BDBM50398467
(CHEMBL2179127)Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c3ccccc3c12)-c1ccccc1 Show InChI InChI=1S/C26H17FN4/c27-18-12-10-16(11-13-18)23-24(31-25(30-23)17-6-2-1-3-7-17)20-14-15-28-26-22(20)19-8-4-5-9-21(19)29-26/h1-15H,(H,28,29)(H,30,31) | 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 | 153 | 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)) | BDBM50104356
(4-[5-(4-Fluoro-phenyl)-2-phenyl-3H-imidazol-4-yl]-...)Show InChI InChI=1S/C20H14FN3/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16/h1-13H,(H,23,24) | 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 | 154 | 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 | 
3D Structure (docked) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50398461
(CHEMBL2179120)Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1 Show InChI InChI=1S/C31H25FN4O3/c1-37-25-15-20(16-26(38-2)29(25)39-3)30-35-27(19-9-11-21(32)12-10-19)28(36-30)22-13-14-33-31-23(22)17-24(34-31)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,34)(H,35,36) | 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 | 290 | 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)) | BDBM50398465
(CHEMBL2179129)Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c(Cc3ccccc3)cc12)-c1ccccc1 Show InChI InChI=1S/C29H21FN4/c30-22-13-11-20(12-14-22)26-27(34-28(33-26)21-9-5-2-6-10-21)24-15-16-31-29-25(24)18-23(32-29)17-19-7-3-1-4-8-19/h1-16,18H,17H2,(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 | 345 | 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)) | BDBM50398462
(CHEMBL2179126)Show SMILES COCn1c(nc(c1-c1ccnc2[nH]ccc12)-c1ccc(F)cc1)-c1ccccc1 |(18.71,-20.69,;19.2,-19.23,;20.71,-18.93,;21.2,-17.47,;20.31,-16.21,;21.23,-14.97,;22.69,-15.46,;22.67,-17.01,;24,-17.77,;25.33,-17,;26.67,-17.76,;26.67,-19.31,;25.34,-20.08,;25.02,-21.59,;23.49,-21.75,;22.86,-20.34,;24,-19.31,;24,-14.66,;25.35,-15.39,;26.66,-14.59,;26.62,-13.05,;27.93,-12.24,;25.26,-12.31,;23.95,-13.12,;18.78,-16.2,;18.02,-14.85,;16.48,-14.84,;15.7,-16.16,;16.46,-17.51,;18,-17.52,)| Show InChI InChI=1S/C24H19FN4O/c1-30-15-29-22(19-11-13-26-23-20(19)12-14-27-23)21(16-7-9-18(25)10-8-16)28-24(29)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 451 | 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)) | BDBM50398470
(CHEMBL2179122)Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ncnc2nc[nH]c12)-c1ccccc1 Show InChI InChI=1S/C20H13FN6/c21-14-8-6-12(7-9-14)15-17(16-18-20(24-10-22-16)25-11-23-18)27-19(26-15)13-4-2-1-3-5-13/h1-11H,(H,26,27)(H,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 740 | 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)) | BDBM50398469
(CHEMBL2179123)Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ncnc2[nH]ccc12)-c1ccccc1 Show InChI InChI=1S/C21H14FN5/c22-15-8-6-13(7-9-15)17-19(18-16-10-11-23-21(16)25-12-24-18)27-20(26-17)14-4-2-1-3-5-14/h1-12H,(H,26,27)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+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)) | BDBM50398463
(CHEMBL2179125)Show SMILES COCn1c(nc(c1-c1ncnc2nc[nH]c12)-c1ccc(F)cc1)-c1ccccc1 |(5.34,-21.61,;5.83,-20.15,;7.34,-19.84,;7.83,-18.38,;6.95,-17.13,;7.86,-15.89,;9.32,-16.38,;9.3,-17.92,;10.64,-18.69,;11.96,-17.92,;13.3,-18.68,;13.31,-20.22,;11.97,-21,;11.65,-22.51,;10.12,-22.67,;9.49,-21.26,;10.64,-20.23,;10.63,-15.57,;11.98,-16.31,;13.3,-15.5,;13.25,-13.96,;14.56,-13.15,;11.89,-13.23,;10.58,-14.04,;5.41,-17.12,;4.66,-15.77,;3.12,-15.75,;2.33,-17.08,;3.1,-18.43,;4.63,-18.44,)| Show InChI InChI=1S/C22H17FN6O/c1-30-13-29-20(18-19-21(26-11-24-18)27-12-25-19)17(14-7-9-16(23)10-8-14)28-22(29)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.99E+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 | |
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