BDBM28527 (3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N,N-dimethylcarbamate::pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 21
SMILES: CN(C)C(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
InChI Key: InChIKey=YEIAMNOHYKXSFB-PZJWPPBQSA-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)) | BDBM28527 ((3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | 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 |
GSK | Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr... | Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM28527 ((3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK | Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr... | Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ | |||||||||||
More data for this Ligand-Target Pair |