BindingDB logo
myBDB logout

null

SMILES: COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cc(Br)cc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1

InChI Key: InChIKey=ZNLYKUZOKWRAEE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50234179   
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))		BDBM50234179
PNG
(CHEMBL4095439)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cc(Br)cc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H30BrN7O3/c1-5-26(38)32-20-13-19(30)14-22(15-20)37-27(39)12-18(2)23-17-31-29(34-28(23)37)33-24-7-6-21(16-25(24)40-4)36-10-8-35(3)9-11-36/h5-7,12-17H,1,8-11H2,2-4H3,(H,32,38)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 57n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His/TEV protease cleavage site-tagged wild type human EGFR using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA

Eur J Med Chem 126: 1107-1117 (2017)


BindingDB Entry DOI: 10.7270/Q2F47RD5
More data for this
Ligand-Target Pair