Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50036682'   

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))	BDBM50036682 (CHEMBL120719 | [5-(2,2-Dicyano-vinyl)-2-hydroxy-3-...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-[#6]-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036682 (CHEMBL120719 | [5-(2,2-Dicyano-vinyl)-2-hydroxy-3-...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-[#6]-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036682 (CHEMBL120719 | [5-(2,2-Dicyano-vinyl)-2-hydroxy-3-...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-[#6]-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibitiory concentration against EGF receptor by polyGAT phosphorylation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair