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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 = 'BDBM50383046'   
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))
BDBM50383046
PNG
(CHEMBL2031297)
Show SMILES CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H20BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50383046
PNG
(CHEMBL2031297)
Show SMILES CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H20BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured at 1 hr by Western blot...


Bioorg Med Chem Lett 23: 5290-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.008
BindingDB Entry DOI: 10.7270/Q24Q7XX1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50383046
PNG
(CHEMBL2031297)
Show SMILES CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H20BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured after 8 hrs by Western ...


Bioorg Med Chem Lett 23: 5290-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.008
BindingDB Entry DOI: 10.7270/Q24Q7XX1
More data for this
Ligand-Target Pair