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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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Found
3
hits of ki for monomerid = 50297484
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
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
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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 10
(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
1.30E+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 JNK3 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 1
(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
>1.50E+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 ERK2 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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