BDBM50307771 5-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxypentanamide::CHEMBL596736
SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO
InChI Key: InChIKey=UCSIYDCODBRGKW-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50307771 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)) | BDBM50307771
(5-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H20ClFN4O4/c1-29-17-10-16-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25) | 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 | 15 | 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)) | BDBM50307771
(5-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H20ClFN4O4/c1-29-17-10-16-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25) | 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 | 9.40 | 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 | |
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