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BDBM50389370 CHEMBL2064393

SMILES: Cc1c(COc2cccc(Nc3ncnc4cc5oc(=O)n(CCCN6CCOCC6)c5cc34)c2)nccc1OCC(F)(F)F

InChI Key: InChIKey=VFJQEWCOMINXPD-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50389370   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50389370
PNG
(CHEMBL2064393)
Show SMILES Cc1c(COc2cccc(Nc3ncnc4cc5oc(=O)n(CCCN6CCOCC6)c5cc34)c2)nccc1OCC(F)(F)F
Show InChI InChI=1S/C31H31F3N6O5/c1-20-25(35-7-6-27(20)44-18-31(32,33)34)17-43-22-5-2-4-21(14-22)38-29-23-15-26-28(16-24(23)36-19-37-29)45-30(41)40(26)9-3-8-39-10-12-42-13-11-39/h2,4-7,14-16,19H,3,8-13,17-18H2,1H3,(H,36,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Eur J Med Chem 55: 39-48 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.055
BindingDB Entry DOI: 10.7270/Q2N87BV8
More data for this
Ligand-Target Pair