BDBM50307781 7-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yloxy)-N-hydroxyheptanamide::CHEMBL604094
SMILES: ONC(=O)CCCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
InChI Key: InChIKey=DGORACVWOLFYBN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50307781 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)) | BDBM50307781
(7-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl...)Show SMILES ONC(=O)CCCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H22ClFN4O3/c22-17-11-14(6-8-18(17)23)26-21-16-12-15(7-9-19(16)24-13-25-21)30-10-4-2-1-3-5-20(28)27-29/h6-9,11-13,29H,1-5,10H2,(H,27,28)(H,24,25,26) | 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 | 44 | 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)) | BDBM50307781
(7-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl...)Show SMILES ONC(=O)CCCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H22ClFN4O3/c22-17-11-14(6-8-18(17)23)26-21-16-12-15(7-9-19(16)24-13-25-21)30-10-4-2-1-3-5-20(28)27-29/h6-9,11-13,29H,1-5,10H2,(H,27,28)(H,24,25,26) | 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 | 84 | 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 | |
Search and Browse
