Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50307940'   

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))	BDBM50307940 (CHEMBL603266 | N-(4-(3-Bromoanilino)quinazolin-6-y...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)Cn4sccc4=O)cc23)c1 Show InChI InChI=1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-28-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127987 BindingDB Entry DOI: 10.7270/Q2TT4VQM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50307940 (CHEMBL603266 | N-(4-(3-Bromoanilino)quinazolin-6-y...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)Cn4sccc4=O)cc23)c1 Show InChI InChI=1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-28-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry				J Med Chem 53: 2038-50 (2010) Article DOI: 10.1021/jm901558p BindingDB Entry DOI: 10.7270/Q2736R1N
					More data for this Ligand-Target Pair