Found 7 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 |
|---|
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50031508
(CHEMBL3358554)Show SMILES Cc1cc(=O)oc2cc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C18H12N2O7S/c1-11-9-16(21)26-15-10-12(7-8-14(11)15)25-17-18(20(22)27-19-17)28(23,24)13-5-3-2-4-6-13/h2-10H,1H3 | PDB
MMDB
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay |
J Med Chem 57: 9343-56 (2014)
Article DOI: 10.1021/jm500613m
BindingDB Entry DOI: 10.7270/Q2RX9DP3 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50031509
(CHEMBL3358555)Show SMILES Cc1cc(=O)oc2c(C)c(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C19H14N2O7S/c1-11-10-16(22)27-17-12(2)15(9-8-14(11)17)26-18-19(21(23)28-20-18)29(24,25)13-6-4-3-5-7-13/h3-10H,1-2H3 | PDB
MMDB
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay |
J Med Chem 57: 9343-56 (2014)
Article DOI: 10.1021/jm500613m
BindingDB Entry DOI: 10.7270/Q2RX9DP3 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50031512
(CHEMBL3359128)Show SMILES Cc1cc(=O)oc2cc(OCC(=O)OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C22H18N2O10S/c1-14-11-19(25)33-18-12-15(7-8-17(14)18)32-13-20(26)30-9-10-31-21-22(24(27)34-23-21)35(28,29)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3 | PDB
MMDB
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay |
J Med Chem 57: 9343-56 (2014)
Article DOI: 10.1021/jm500613m
BindingDB Entry DOI: 10.7270/Q2RX9DP3 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50031511
(CHEMBL3359127)Show SMILES [O-][n+]1onc(OCCOC(=O)COc2ccc3ccc(=O)oc3c2)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H16N2O10S/c24-18-9-7-14-6-8-15(12-17(14)32-18)31-13-19(25)29-10-11-30-20-21(23(26)33-22-20)34(27,28)16-4-2-1-3-5-16/h1-9,12H,10-11,13H2 | PDB
MMDB
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 | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay |
J Med Chem 57: 9343-56 (2014)
Article DOI: 10.1021/jm500613m
BindingDB Entry DOI: 10.7270/Q2RX9DP3 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50031507
(CHEMBL3358553)Show SMILES [O-][n+]1onc(Oc2ccc3ccc(=O)oc3c2)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H10N2O7S/c20-15-9-7-11-6-8-12(10-14(11)25-15)24-16-17(19(21)26-18-16)27(22,23)13-4-2-1-3-5-13/h1-10H | PDB
MMDB
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay |
J Med Chem 57: 9343-56 (2014)
Article DOI: 10.1021/jm500613m
BindingDB Entry DOI: 10.7270/Q2RX9DP3 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50031513
(CHEMBL3359129)Show SMILES CCc1cc(=O)c2ccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2o1 Show InChI InChI=1S/C19H14N2O7S/c1-2-12-10-16(22)15-9-8-13(11-17(15)26-12)27-18-19(21(23)28-20-18)29(24,25)14-6-4-3-5-7-14/h3-11H,2H2,1H3 | PDB
MMDB
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay |
J Med Chem 57: 9343-56 (2014)
Article DOI: 10.1021/jm500613m
BindingDB Entry DOI: 10.7270/Q2RX9DP3 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50031510
(CHEMBL3359125)Show SMILES Cc1cc(=O)oc2cc(NCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C20H17N3O7S/c1-13-11-18(24)29-17-12-14(7-8-16(13)17)21-9-10-28-19-20(23(25)30-22-19)31(26,27)15-5-3-2-4-6-15/h2-8,11-12,21H,9-10H2,1H3 | PDB
MMDB
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay |
J Med Chem 57: 9343-56 (2014)
Article DOI: 10.1021/jm500613m
BindingDB Entry DOI: 10.7270/Q2RX9DP3 |
More data for this
Ligand-Target Pair | |
Search and Browse
