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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 = 'BDBM50266911'   
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))
BDBM50266911
PNG
(CHEMBL4061829)
Show SMILES OCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN4O/c25-17-8-6-16(7-9-17)22-23(29-21(28-22)11-13-30)18-10-12-26-24-19(18)14-20(27-24)15-4-2-1-3-5-15/h1-10,12,14,30H,11,13H2,(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a<0.300n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system prein...


J Med Chem 60: 4636-4656 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00178
BindingDB Entry DOI: 10.7270/Q26T0Q47
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50266911
PNG
(CHEMBL4061829)
Show SMILES OCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN4O/c25-17-8-6-16(7-9-17)22-23(29-21(28-22)11-13-30)18-10-12-26-24-19(18)14-20(27-24)15-4-2-1-3-5-15/h1-10,12,14,30H,11,13H2,(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX
More data for this
Ligand-Target Pair