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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 = 'BDBM50255858'   
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))		BDBM50255858
PNG
(CHEMBL4084868)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N([C@H]4CCN(C4)C(=O)C4CCCC4)c3n2)c2ccccc2Cl)cc1C |r|
Show InChI InChI=1S/C34H41ClN8O2/c1-23-19-26(11-12-29(23)40-17-15-39(2)16-18-40)37-33-36-20-25-21-42(30-10-6-5-9-28(30)35)34(45)43(31(25)38-33)27-13-14-41(22-27)32(44)24-7-3-4-8-24/h5-6,9-12,19-20,24,27H,3-4,7-8,13-18,21-22H2,1-2H3,(H,36,37,38)/t27-/m0/s1
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Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



State Key Laboratory of Respiratory Diseases , Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences , 190 Kaiyuan Avenue , Guangzhou 510530 , China.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus using tyr4 peptide as su...

J Med Chem 61: 2353-2371 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01612
BindingDB Entry DOI: 10.7270/Q2NC63NB
More data for this
Ligand-Target Pair