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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50383275'   
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))
BDBM50383275
PNG
(CHEMBL2032376)
Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H32N8O3/c1-5-25(37)30-20-7-6-8-22(15-20)36-26-19(18-34(3)28(36)38)17-29-27(32-26)31-23-10-9-21(16-24(23)39-4)35-13-11-33(2)12-14-35/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,37)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.16n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay


J Med Chem 55: 2711-23 (2012)


Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM
More data for this
Ligand-Target Pair