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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 = 'BDBM50255883'   
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))		BDBM50255883
PNG
(CHEMBL4096988)
Show SMILES [H][C@@]12CN(C)C[C@]1([H])CN(C2)c1ccc(Nc2ncc3CN(C(=O)N([C@H]4CCN(C4)C(=O)CC)c3n2)c2cc(OC)ccc2F)cc1C |r|
Show InChI InChI=1S/C34H41FN8O3/c1-5-31(44)40-11-10-26(20-40)43-32-22(19-42(34(43)45)30-13-27(46-4)7-8-28(30)35)14-36-33(38-32)37-25-6-9-29(21(2)12-25)41-17-23-15-39(3)16-24(23)18-41/h6-9,12-14,23-24,26H,5,10-11,15-20H2,1-4H3,(H,36,37,38)/t23-,24+,26-/m0/s1
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KEGG

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PC cid
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Similars
Article
PubMed
n/an/a 216n/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