BDBM27972 6-Ethynylthieno[3,2-d]pyrimidine, 7::6-[(3S)-3-aminobut-1-yn-1-yl]-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}thieno[3,2-d]pyrimidin-4-amine
SMILES: C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
InChI Key: InChIKey=DWJSVGCODPLRLP-AWEZNQCLSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM27972 (6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 64 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK | Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... | Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human)) | BDBM27972 (6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 412 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK | Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... | Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human)) | BDBM27972 (6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK | Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... | Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35 | |||||||||||
More data for this Ligand-Target Pair |