Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM112501'   

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))	BDBM112501 (US8623883, No. 7) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	7.4	25
Warner-Lambert Company LLC US Patent					Assay Description Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...				US Patent US8623883 (2014) BindingDB Entry DOI: 10.7270/Q29885P7
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