BDBM27971 6-Ethynylthieno[3,2-d]pyrimidine, 6::N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-ethynylthieno[3,2-d]pyrimidin-4-amine
SMILES: Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1
InChI Key: InChIKey=RBBZLSVNHVBMRU-UHFFFAOYSA-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)) | BDBM27971 (6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | 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)) | BDBM27971 (6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 66 | 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)) | BDBM27971 (6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | 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 |