Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50122570'   

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))	BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) Show SMILES COCC1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assay				Eur J Med Chem 102: 115-31 (2015) Article DOI: 10.1016/j.ejmech.2015.07.030 BindingDB Entry DOI: 10.7270/Q2JQ12TS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) Show SMILES COCC1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor				J Med Chem 46: 49-63 (2002) Article DOI: 10.1021/jm020241c BindingDB Entry DOI: 10.7270/Q2PV6M3H
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) Show SMILES COCC1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair