BDBM50293250 (S)-N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(pyrrolidin-2-ylethynyl)thieno[3,2-d]pyrimidin-4-amine::CHEMBL495979
SMILES: Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3CCCN3)cc2Cl)c1
InChI Key: InChIKey=FNYHTKUCTLSINN-SFHVURJKSA-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)) | BDBM50293250![]() ((S)-N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(py...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development Curated by ChEMBL | Assay Description Inhibition of ErbB2 kinase | Bioorg Med Chem Lett 18: 5738-40 (2009) Article DOI: 10.1016/j.bmcl.2008.09.090 BindingDB Entry DOI: 10.7270/Q2H70FTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50293250![]() ((S)-N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(py...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development Curated by ChEMBL | Assay Description Inhibition of EGFR kinase | Bioorg Med Chem Lett 18: 5738-40 (2009) Article DOI: 10.1016/j.bmcl.2008.09.090 BindingDB Entry DOI: 10.7270/Q2H70FTT | |||||||||||
More data for this Ligand-Target Pair |