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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 = 'BDBM50183841'   
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))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair