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SMILES: COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccc2ccccc2c1)N1CCN(C)CC1

InChI Key: InChIKey=CAAQIXNRUIJYOQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383291   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50383291
PNG
(CHEMBL2029437)
Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C37H36N8O3/c1-4-34(46)39-28-10-7-11-31(21-28)45-35-27(24-44(37(45)47)30-13-12-25-8-5-6-9-26(25)20-30)23-38-36(41-35)40-32-15-14-29(22-33(32)48-3)43-18-16-42(2)17-19-43/h4-15,20-23H,1,16-19,24H2,2-3H3,(H,39,46)(H,38,40,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.800n/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