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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 = 'BDBM50183838'   
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))
BDBM50183838
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O3/c1-13(21(25)30)29(7-8-31-2)11-14-9-15-18(10-19(14)32-3)26-12-27-22(15)28-17-6-4-5-16(23)20(17)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 10n/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))
BDBM50183838
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O3/c1-13(21(25)30)29(7-8-31-2)11-14-9-15-18(10-19(14)32-3)26-12-27-22(15)28-17-6-4-5-16(23)20(17)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 10n/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