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SMILES: COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccccc1)N1CCN(C)CC1

InChI Key: InChIKey=QSMLEYYCYZLPGW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383290   
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))		BDBM50383290
PNG
(CHEMBL2029436)
Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C33H34N8O3/c1-4-30(42)35-24-9-8-12-27(19-24)41-31-23(22-40(33(41)43)25-10-6-5-7-11-25)21-34-32(37-31)36-28-14-13-26(20-29(28)44-3)39-17-15-38(2)16-18-39/h4-14,19-21H,1,15-18,22H2,2-3H3,(H,35,42)(H,34,36,37)
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 0.300n/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