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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 = 'BDBM50255831'   
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))		BDBM50255831
PNG
(CHEMBL4105392)
Show SMILES CCC(=O)N1CC[C@@H](C1)N1C(=O)N(Cc2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H37ClN8O2/c1-4-28(41)38-12-11-26(20-38)40-29-22(19-39(31(40)42)25-8-5-23(32)6-9-25)18-33-30(35-29)34-24-7-10-27(21(2)17-24)37-15-13-36(3)14-16-37/h5-10,17-18,26H,4,11-16,19-20H2,1-3H3,(H,33,34,35)/t26-/m0/s1
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PC cid
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Similars
Article
PubMed
n/an/a 383n/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