BDBM50307776 7-(4-(3-Ethynyl-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide::CHEMBL598798
SMILES: COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OCCCCCCC(=O)NO
InChI Key: InChIKey=ISCACOSJZYPVNU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50307776 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)) | BDBM50307776
(7-(4-(3-Ethynyl-4-fluorophenylamino)-7-methoxyquin...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C24H25FN4O4/c1-3-16-12-17(9-10-19(16)25)28-24-18-13-22(21(32-2)14-20(18)26-15-27-24)33-11-7-5-4-6-8-23(30)29-31/h1,9-10,12-15,31H,4-8,11H2,2H3,(H,29,30)(H,26,27,28) | PDB MMDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Curis Inc
Curated by ChEMBL
| Assay Description Inhibition of HER2 |
J Med Chem 53: 2000-9 (2010)
Article DOI: 10.1021/jm901453q BindingDB Entry DOI: 10.7270/Q2CR5TGQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50307776
(7-(4-(3-Ethynyl-4-fluorophenylamino)-7-methoxyquin...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C24H25FN4O4/c1-3-16-12-17(9-10-19(16)25)28-24-18-13-22(21(32-2)14-20(18)26-15-27-24)33-11-7-5-4-6-8-23(30)29-31/h1,9-10,12-15,31H,4-8,11H2,2H3,(H,29,30)(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Curis Inc
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
J Med Chem 53: 2000-9 (2010)
Article DOI: 10.1021/jm901453q BindingDB Entry DOI: 10.7270/Q2CR5TGQ |
More data for this Ligand-Target Pair | |