Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM4468'   

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))	BDBM4468 (4-(4-Isopropylphenylamino)-6,7-dimethoxyquinoline-...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(cc3)C(C)C)c2cc1OC Show InChI InChI=1S/C21H21N3O2/c1-13(2)14-5-7-16(8-6-14)24-21-15(11-22)12-23-18-10-20(26-4)19(25-3)9-17(18)21/h5-10,12-13H,1-4H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4468 (4-(4-Isopropylphenylamino)-6,7-dimethoxyquinoline-...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(cc3)C(C)C)c2cc1OC Show InChI InChI=1S/C21H21N3O2/c1-13(2)14-5-7-16(8-6-14)24-21-15(11-22)12-23-18-10-20(26-4)19(25-3)9-17(18)21/h5-10,12-13H,1-4H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research					Assay Description The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...				J Med Chem 43: 3244-56 (2000) Article DOI: 10.1021/jm000206a BindingDB Entry DOI: 10.7270/Q22V2D9M
					More data for this Ligand-Target Pair