BDBM50312982 (2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)(morpholino)methanone::CHEMBL1081484
SMILES: COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC
InChI Key: InChIKey=MTBQULNINNEDEC-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM50312982 ((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay | Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50312982 ((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay | Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0 | |||||||||||
More data for this Ligand-Target Pair |