BDBM50307782 7-(4-(3-Chloro-4-fluorophenylamino)-7-(2-methoxyethoxy)quinazolin-6-yloxy)-N-hydroxyheptanamide::CHEMBL597569
SMILES: COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
InChI Key: InChIKey=FEOPLVISXFSHGK-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50307782 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)) | BDBM50307782
(7-(4-(3-Chloro-4-fluorophenylamino)-7-(2-methoxyet...)Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C24H28ClFN4O5/c1-33-10-11-35-22-14-20-17(13-21(22)34-9-5-3-2-4-6-23(31)30-32)24(28-15-27-20)29-16-7-8-19(26)18(25)12-16/h7-8,12-15,32H,2-6,9-11H2,1H3,(H,30,31)(H,27,28,29) | 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 | 24 | 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)) | BDBM50307782
(7-(4-(3-Chloro-4-fluorophenylamino)-7-(2-methoxyet...)Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C24H28ClFN4O5/c1-33-10-11-35-22-14-20-17(13-21(22)34-9-5-3-2-4-6-23(31)30-32)24(28-15-27-20)29-16-7-8-19(26)18(25)12-16/h7-8,12-15,32H,2-6,9-11H2,1H3,(H,30,31)(H,27,28,29) | 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 | 10 | 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 | |