Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50166944'   

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))	BDBM50166944 (CHEMBL3799864) Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCCN(CC1)C(C)=O Show InChI InChI=1S/C28H32N6O4S/c1-5-26(36)30-20-8-6-9-22(16-20)38-27-25(39-4)18-29-28(32-27)31-23-11-10-21(17-24(23)37-3)34-13-7-12-33(14-15-34)19(2)35/h5-6,8-11,16-18H,1,7,12-15H2,2-4H3,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA				Bioorg Med Chem 24: 2673-80 (2016) Article DOI: 10.1016/j.bmc.2016.04.032 BindingDB Entry DOI: 10.7270/Q26W9D0T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50166944 (CHEMBL3799864) Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCCN(CC1)C(C)=O Show InChI InChI=1S/C28H32N6O4S/c1-5-26(36)30-20-8-6-9-22(16-20)38-27-25(39-4)18-29-28(32-27)31-23-11-10-21(17-24(23)37-3)34-13-7-12-33(14-15-34)19(2)35/h5-6,8-11,16-18H,1,7,12-15H2,2-4H3,(H,30,36)(H,29,31,32)	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	389	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA				Bioorg Med Chem 24: 2673-80 (2016) Article DOI: 10.1016/j.bmc.2016.04.032 BindingDB Entry DOI: 10.7270/Q26W9D0T
					More data for this Ligand-Target Pair