Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50030524 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)) | BDBM50297454
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1 Show InChI InChI=1S/C25H21FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-8,11-12,23H,9-10,13-15H2 | 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
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50297461
((3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-...)Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=Cc2ccccc2)c2OCOCc2c1 |w:17.18| Show InChI InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,23H,13-15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50297484
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)Show SMILES Fc1ccc(cc1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12 Show InChI InChI=1S/C23H16F2N2O4/c24-16-6-4-13(5-7-16)18-2-1-3-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2 | 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
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50297487
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)Show SMILES Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12 Show InChI InChI=1S/C23H16F2N2O4/c24-16-4-1-3-13(7-16)18-5-2-6-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2 | 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
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50297457
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=C)c2OCOCc2c1 Show InChI InChI=1S/C19H15FN2O4/c1-2-11-4-3-5-15-16(11)17(21-24)19(23)22(15)8-12-6-14(20)7-13-9-25-10-26-18(12)13/h2-7,17H,1,8-10H2 | 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
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50297480
((3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-...)Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3-c2ccccc2)c2OCOCc2c1 Show InChI InChI=1S/C23H17FN2O4/c24-17-9-15(22-16(10-17)12-29-13-30-22)11-26-19-8-4-7-18(14-5-2-1-3-6-14)20(19)21(25-28)23(26)27/h1-10,21H,11-13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50297459
(4-bromo-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)Show InChI InChI=1S/C17H12BrFN2O4/c18-12-2-1-3-13-14(12)15(20-23)17(22)21(13)6-9-4-11(19)5-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2 | 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
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50297455
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1 Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3 | 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
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay |
Bioorg Med Chem Lett 19: 2891-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ |
More data for this
Ligand-Target Pair | |
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