PDB code 3MBL
Identical Ligands in BindingDB
Found 2 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
(321/322 > 99%)† (Homo sapiens (Human)) | BDBM50321564
(5-acetyl-2-(2-fluoro-4-iodophenylamino)-N-(2-hydro...)Show InChI InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation using IPTTPITTYFFFK-5FAM-COOH as substrate by fluorescent polarization assay |
Bioorg Med Chem Lett 22: 2411-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.026 BindingDB Entry DOI: 10.7270/Q2BR8T5H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(321/322 > 99%)† (Homo sapiens (Human)) | BDBM50321564
(5-acetyl-2-(2-fluoro-4-iodophenylamino)-N-(2-hydro...)Show InChI InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by cascade assay method |
Bioorg Med Chem Lett 20: 4156-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.058 BindingDB Entry DOI: 10.7270/Q2SF2X4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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Search BindingMOAD for More Affinity Data:
* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output