Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50525411'   

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))	BDBM50525411 (CHEMBL4443483) Show SMILES COc1cc2c(Nc3ccc(NC(=O)C(N4Cc5ccccc5C4=O)c4cc(F)ccc4F)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C38H35F3N6O4/c1-46-13-11-22(12-14-46)20-51-34-18-32-28(17-33(34)50-2)36(43-21-42-32)45-31-10-8-25(16-30(31)41)44-37(48)35(27-15-24(39)7-9-29(27)40)47-19-23-5-3-4-6-26(23)38(47)49/h3-10,15-18,21-22,35H,11-14,19-20H2,1-2H3,(H,44,48)(H,42,43,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) T790M/L858R/C797S mutant expressed in baculov...				ACS Med Chem Lett 10: 869-873 (2019) Article DOI: 10.1021/acsmedchemlett.8b00564 BindingDB Entry DOI: 10.7270/Q2ZS30ZX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50525411 (CHEMBL4443483) Show SMILES COc1cc2c(Nc3ccc(NC(=O)C(N4Cc5ccccc5C4=O)c4cc(F)ccc4F)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C38H35F3N6O4/c1-46-13-11-22(12-14-46)20-51-34-18-32-28(17-33(34)50-2)36(43-21-42-32)45-31-10-8-25(16-30(31)41)44-37(48)35(27-15-24(39)7-9-29(27)40)47-19-23-5-3-4-6-26(23)38(47)49/h3-10,15-18,21-22,35H,11-14,19-20H2,1-2H3,(H,44,48)(H,42,43,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00876 BindingDB Entry DOI: 10.7270/Q2QF8XXX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50525411 (CHEMBL4443483) Show SMILES COc1cc2c(Nc3ccc(NC(=O)C(N4Cc5ccccc5C4=O)c4cc(F)ccc4F)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C38H35F3N6O4/c1-46-13-11-22(12-14-46)20-51-34-18-32-28(17-33(34)50-2)36(43-21-42-32)45-31-10-8-25(16-30(31)41)44-37(48)35(27-15-24(39)7-9-29(27)40)47-19-23-5-3-4-6-26(23)38(47)49/h3-10,15-18,21-22,35H,11-14,19-20H2,1-2H3,(H,44,48)(H,42,43,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00876 BindingDB Entry DOI: 10.7270/Q2QF8XXX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50525411 (CHEMBL4443483) Show SMILES COc1cc2c(Nc3ccc(NC(=O)C(N4Cc5ccccc5C4=O)c4cc(F)ccc4F)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C38H35F3N6O4/c1-46-13-11-22(12-14-46)20-51-34-18-32-28(17-33(34)50-2)36(43-21-42-32)45-31-10-8-25(16-30(31)41)44-37(48)35(27-15-24(39)7-9-29(27)40)47-19-23-5-3-4-6-26(23)38(47)49/h3-10,15-18,21-22,35H,11-14,19-20H2,1-2H3,(H,44,48)(H,42,43,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA				ACS Med Chem Lett 10: 869-873 (2019) Article DOI: 10.1021/acsmedchemlett.8b00564 BindingDB Entry DOI: 10.7270/Q2ZS30ZX
					More data for this Ligand-Target Pair