BindingDB logo
myBDB logout

PubMed code 23648182

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50491985
PNG
(CHEMBL2391620)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1O[C@H]1CCNC1 |r|
Show InChI InChI=1S/C13H13ClN2O2/c14-11-6-10-8(1-4-16-13(10)17)5-12(11)18-9-2-3-15-7-9/h1,4-6,9,15H,2-3,7H2,(H,16,17)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using ATP and ERK2 K54R as substrate after 60 to 80 mins by HTRF assay


Bioorg Med Chem Lett 23: 3620-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.003
BindingDB Entry DOI: 10.7270/Q20R9SBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM74351
PNG
(MLS001360529 | SMR001223863 | cid_3694944)
Show SMILES CC1(O)CCN2C(=O)CCc3cccc1c23
Show InChI InChI=1S/C13H15NO2/c1-13(16)7-8-14-11(15)6-5-9-3-2-4-10(13)12(9)14/h2-4,16H,5-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.81E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using ATP and ERK2 K54R as substrate after 60 to 80 mins by HTRF assay


Bioorg Med Chem Lett 23: 3620-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.003
BindingDB Entry DOI: 10.7270/Q20R9SBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50234316
PNG
(CHEMBL2391621)
Show SMILES COC(=O)c1c[nH]c2ncccc12
Show InChI InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 3.94E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using ATP and ERK2 K54R as substrate after 60 to 80 mins by HTRF assay


Bioorg Med Chem Lett 23: 3620-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.003
BindingDB Entry DOI: 10.7270/Q20R9SBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50491987
PNG
(CHEMBL2391618)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1OC[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C14H15ClN2O2/c15-12-6-11-10(2-4-17-14(11)18)5-13(12)19-8-9-1-3-16-7-9/h2,4-6,9,16H,1,3,7-8H2,(H,17,18)/t9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using ATP and ERK2 K54R as substrate after 60 to 80 mins by HTRF assay


Bioorg Med Chem Lett 23: 3620-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.003
BindingDB Entry DOI: 10.7270/Q20R9SBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50491984
PNG
(CHEMBL2391619)
Show SMILES Nc1n[nH]c2cccc(C#N)c12
Show InChI InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)8(10)12-11-6/h1-3H,(H3,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using ATP and ERK2 K54R as substrate after 60 to 80 mins by HTRF assay


Bioorg Med Chem Lett 23: 3620-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.003
BindingDB Entry DOI: 10.7270/Q20R9SBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50491986
PNG
(CHEMBL2391615)
Show SMILES O=c1[nH]ccc2cc(OC[C@@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C15H18N2O2/c18-15-14-4-3-13(8-12(14)5-7-17-15)19-10-11-2-1-6-16-9-11/h3-5,7-8,11,16H,1-2,6,9-10H2,(H,17,18)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.91E+5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using ATP and ERK2 K54R as substrate after 60 to 80 mins by HTRF assay


Bioorg Med Chem Lett 23: 3620-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.003
BindingDB Entry DOI: 10.7270/Q20R9SBM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%