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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 = 'BDBM50134262'   
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))
BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1S/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1S/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair