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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 = 'BDBM50500089'   
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))
BDBM50500089
PNG
(CHEMBL3740910)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCCC5)cc4)cc23)c1
Show InChI InChI=1S/C27H25F3N6O/c28-27(29,30)19-4-3-5-21(14-19)33-25-23-15-22(10-11-24(23)31-17-32-25)35-26(37)34-20-8-6-18(7-9-20)16-36-12-1-2-13-36/h3-11,14-15,17H,1-2,12-13,16H2,(H,31,32,33)(H2,34,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR tyrosine kinase (unknown origin) assessed as ATP level by luminescence analysis


Bioorg Med Chem 24: 179-90 (2016)


Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50500089
PNG
(CHEMBL3740910)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCCC5)cc4)cc23)c1
Show InChI InChI=1S/C27H25F3N6O/c28-27(29,30)19-4-3-5-21(14-19)33-25-23-15-22(10-11-24(23)31-17-32-25)35-26(37)34-20-8-6-18(7-9-20)16-36-12-1-2-13-36/h3-11,14-15,17H,1-2,12-13,16H2,(H,31,32,33)(H2,34,35,37)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase L858R mutant (unknown origin) assessed as ATP level by luminescence analysis


Bioorg Med Chem 24: 179-90 (2016)


Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0
More data for this
Ligand-Target Pair