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SMILES: Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCN1CCOCC1

InChI Key: InChIKey=DAPDIOHPATXXKN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50338597   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50338597 (CHEMBL1683971 | N-(3-chloro-4-(3-fluorobenzyloxy)p...) Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCN1CCOCC1 Show InChI InChI=1S/C25H24ClFN4O2/c1-18-22(6-3-9-31-10-12-32-13-11-31)25(29-17-28-18)30-21-7-8-24(23(26)15-21)33-16-19-4-2-5-20(27)14-19/h2,4-5,7-8,14-15,17H,9-13,16H2,1H3,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HER2 by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 21: 1601-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.119 BindingDB Entry DOI: 10.7270/Q2RX9CCN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50338597 (CHEMBL1683971 | N-(3-chloro-4-(3-fluorobenzyloxy)p...) Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCN1CCOCC1 Show InChI InChI=1S/C25H24ClFN4O2/c1-18-22(6-3-9-31-10-12-32-13-11-31)25(29-17-28-18)30-21-7-8-24(23(26)15-21)33-16-19-4-2-5-20(27)14-19/h2,4-5,7-8,14-15,17H,9-13,16H2,1H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 21: 1601-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.119 BindingDB Entry DOI: 10.7270/Q2RX9CCN
					More data for this Ligand-Target Pair