BDBM50337929 (S)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione::CHEMBL1684070::US8470837, 19
SMILES: Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
InChI Key: InChIKey=RCLQNICOARASSR-VIFPVBQESA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50337929 ((S)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego Curated by ChEMBL | Assay Description Inhibition of MEK1 by IMAP assay | Bioorg Med Chem Lett 21: 1315-9 (2011) Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human)) | BDBM50337929 ((S)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | <5 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Takeda Pharmaceutical Company Limted US Patent | Assay Description Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices. | US Patent US8470837 (2013) BindingDB Entry DOI: 10.7270/Q2N29VJ4 | |||||||||||
More data for this Ligand-Target Pair |