Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50031656'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50031656 (1-(4-Benzyloxy-phenyl)-3-dimethylamino-2-phenylsul...) Show SMILES CN(C)CC(CSc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C25H27NO2S/c1-26(2)17-22(19-29-24-11-7-4-8-12-24)25(27)21-13-15-23(16-14-21)28-18-20-9-5-3-6-10-20/h3-16,22H,17-19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA Limited Curated by ChEMBL					Assay Description In vitro inhibition of the Epidermal growth factor receptor activity in A431 membranes				J Med Chem 38: 2441-8 (1995) BindingDB Entry DOI: 10.7270/Q2MS3TDK
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