Found 3 hits 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
(332/332 = 100%)† (Homo sapiens (Human)) | BDBM50420693
(CHEMBL2087077)Show SMILES OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(332/332 = 100%)† (Homo sapiens (Human)) | BDBM50420693
(CHEMBL2087077)Show SMILES OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(332/332 = 100%)† (Homo sapiens (Human)) | BDBM50420693
(CHEMBL2087077)Show SMILES OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |