BDBM50307790 7-(4-(3-chloro-4-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)-N-hydroxyheptanamide::CHEMBL598610
SMILES: COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCC(=O)NO
InChI Key: InChIKey=SOCMOTGNRXRMOH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50307790 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)) | BDBM50307790
(7-(4-(3-chloro-4-fluorophenylamino)-6-methoxyquina...)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H24ClFN4O4/c1-31-19-11-15-18(12-20(19)32-9-5-3-2-4-6-21(29)28-30)25-13-26-22(15)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27) | 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 | 71 | 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)) | BDBM50307790
(7-(4-(3-chloro-4-fluorophenylamino)-6-methoxyquina...)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H24ClFN4O4/c1-31-19-11-15-18(12-20(19)32-9-5-3-2-4-6-21(29)28-30)25-13-26-22(15)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27) | 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 | 7 | 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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