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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 = 'BDBM50255939'   
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))		BDBM50255939
PNG
(CHEMBL4096014)
Show SMILES CCC(=O)N1CC[C@@H](C1)N1C(=O)N(Cc2cnc(Nc3ccc(N4CCN(C)CC4)c(CC)c3)nc12)c1cc(OC)ccc1F |r|
Show InChI InChI=1S/C33H41FN8O3/c1-5-22-17-24(7-10-28(22)39-15-13-38(3)14-16-39)36-32-35-19-23-20-41(29-18-26(45-4)8-9-27(29)34)33(44)42(31(23)37-32)25-11-12-40(21-25)30(43)6-2/h7-10,17-19,25H,5-6,11-16,20-21H2,1-4H3,(H,35,36,37)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 518n/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