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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50179508'   
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))
BDBM50179508
PNG
(CHEMBL3814959)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.803n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50179508
PNG
(CHEMBL3814959)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 273n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50179508
PNG
(CHEMBL3814959)
Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 315n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair