BDBM50087082 CHEMBL417478::N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(4-morpholin-4-yl-but-1-enyl)-pyrido[3,2-d]pyrimidin-6-yl]-acrylamide
SMILES: Fc1ccc(Nc2ncnc3cc(\C=C\CCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl
InChI Key: InChIKey=DWKWPKBAUKFSKF-HWKANZROSA-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)) | BDBM50087082 (CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting | J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human)) | BDBM50087082 (CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells | J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50087082 (CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm... | J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179 | |||||||||||
More data for this Ligand-Target Pair |