Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50131840'   

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))	BDBM50131840 (CHEMBL3633142) Show SMILES COc1cc(ccc1Nc1ncc2ccc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H29N7O3/c1-4-25(36)30-20-6-5-7-22(16-20)35-26(37)11-8-19-18-29-28(32-27(19)35)31-23-10-9-21(17-24(23)38-3)34-14-12-33(2)13-15-34/h4-11,16-18H,1,12-15H2,2-3H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity against delta opioid receptor in mouse hot plate test				ACS Med Chem Lett 6: 987-92 (2015) Article DOI: 10.1021/acsmedchemlett.5b00193 BindingDB Entry DOI: 10.7270/Q21C1ZPN
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