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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50311463'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50311463
PNG
(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...)
Show SMILES CN1CCN(CCCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1
Show InChI InChI=1S/C29H33ClFN7O2/c1-19-26-24(35-27(19)29(39)32-9-4-10-38-13-11-37(2)12-14-38)17-33-36-28(26)34-22-7-8-25(23(30)16-22)40-18-20-5-3-6-21(31)15-20/h3,5-8,15-17,35H,4,9-14,18H2,1-2H3,(H,32,39)(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by HTRF assay


Bioorg Med Chem Lett 19: 6437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.038
BindingDB Entry DOI: 10.7270/Q25B02K2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50311463
PNG
(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...)
Show SMILES CN1CCN(CCCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1
Show InChI InChI=1S/C29H33ClFN7O2/c1-19-26-24(35-27(19)29(39)32-9-4-10-38-13-11-37(2)12-14-38)17-33-36-28(26)34-22-7-8-25(23(30)16-22)40-18-20-5-3-6-21(31)15-20/h3,5-8,15-17,35H,4,9-14,18H2,1-2H3,(H,32,39)(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of EGFR by HTRF assay


Bioorg Med Chem Lett 19: 6437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.038
BindingDB Entry DOI: 10.7270/Q25B02K2
More data for this
Ligand-Target Pair