Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM4321'   

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))	BDBM4321 (3-{[4-(2,2-dicyanoeth-1-en-1-yl)phenyl]carbamoyl}p...) Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1 Show InChI InChI=1S/C14H11N3O3/c15-8-11(9-16)7-10-1-3-12(4-2-10)17-13(18)5-6-14(19)20/h1-4,7H,5-6H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+5	-20.5	6.40E+5	n/a	n/a	n/a	n/a	7.6	22
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
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