Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50237547'   

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))	BDBM50237547 (CHEMBL4083222) Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C22H24BrN5O3/c1-13(26-21(30)31-22(2,3)4)20(29)28-16-8-9-18-17(11-16)19(25-12-24-18)27-15-7-5-6-14(23)10-15/h5-13H,1-4H3,(H,26,30)(H,28,29)(H,24,25,27)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical University Curated by ChEMBL					Assay Description Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor				Eur J Med Chem 130: 393-405 (2017) Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ
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