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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 = 'BDBM50292735'   
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))
BDBM50292735
PNG
(CHEMBL514014 | N4-(3-bromophenyl)-6-(3,4,5-trimeth...)
Show SMILES COc1cc(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3[nH]2)cc(OC)c1OC
Show InChI InChI=1S/C22H22BrN5O3/c1-29-17-8-12(9-18(30-2)19(17)31-3)7-15-11-16-20(27-22(24)28-21(16)26-15)25-14-6-4-5-13(23)10-14/h4-6,8-11H,7H2,1-3H3,(H4,24,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50292735
PNG
(CHEMBL514014 | N4-(3-bromophenyl)-6-(3,4,5-trimeth...)
Show SMILES COc1cc(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3[nH]2)cc(OC)c1OC
Show InChI InChI=1S/C22H22BrN5O3/c1-29-17-8-12(9-18(30-2)19(17)31-3)7-15-11-16-20(27-22(24)28-21(16)26-15)25-14-6-4-5-13(23)10-14/h4-6,8-11H,7H2,1-3H3,(H4,24,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR


J Med Chem 52: 964-75 (2009)


Article DOI: 10.1021/jm800829v
BindingDB Entry DOI: 10.7270/Q27W6C7Q
More data for this
Ligand-Target Pair