BDBM5460 6-alkoxy-4-anilinoquinazoline 8f::N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
SMILES: CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1
InChI Key: InChIKey=FMKJJNOFXVDHKH-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human)) | BDBM5460 (6-alkoxy-4-anilinoquinazoline 8f | N-{1-[(3-fluoro...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GlaxoSmithKline | Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com... | Bioorg Med Chem Lett 13: 637-40 (2003) Article DOI: 10.1016/s0960-894x(02)01047-8 BindingDB Entry DOI: 10.7270/Q2D21VS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5460 (6-alkoxy-4-anilinoquinazoline 8f | N-{1-[(3-fluoro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GlaxoSmithKline | Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com... | Bioorg Med Chem Lett 13: 637-40 (2003) Article DOI: 10.1016/s0960-894x(02)01047-8 BindingDB Entry DOI: 10.7270/Q2D21VS2 | |||||||||||
More data for this Ligand-Target Pair |