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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 = 'BDBM50255938'   
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))		BDBM50255938
PNG
(CHEMBL4068695)
Show SMILES CCC(=O)N1CC[C@@H](C1)N1C(=O)N(Cc2cnc(Nc3ccc(N4CCN(C)CC4)c(c3)C(F)(F)F)nc12)c1cc(OC)ccc1F |r|
Show InChI InChI=1S/C32H36F4N8O3/c1-4-28(45)42-10-9-22(19-42)44-29-20(18-43(31(44)46)27-16-23(47-3)6-7-25(27)33)17-37-30(39-29)38-21-5-8-26(24(15-21)32(34,35)36)41-13-11-40(2)12-14-41/h5-8,15-17,22H,4,9-14,18-19H2,1-3H3,(H,37,38,39)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/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