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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 = 'BDBM50238188'   
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))		BDBM50238188
PNG
(CHEMBL4082884)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1C(C)(C)C
Show InChI InChI=1S/C23H27N5O2S/c1-7-19(29)25-15-8-9-17(30-5)16(13-15)26-18-12-14(10-11-24-18)20-21(23(2,3)4)28-22(27-20)31-6/h7-13H,1H2,2-6H3,(H,24,26)(H,25,29)(H,27,28)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...

J Med Chem 60: 5613-5637 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00316
BindingDB Entry DOI: 10.7270/Q2V98BCK
More data for this
Ligand-Target Pair