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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 = 'BDBM50271848'   
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))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair