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SMILES: CCc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C

InChI Key: InChIKey=HREKDLNKESWDHN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50338610   

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))	BDBM50338610 (CHEMBL1683956 | N-(3-chloro-4-(3-fluorobenzyloxy)p...) Show SMILES CCc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C Show InChI InChI=1S/C20H19ClFN3O/c1-3-18-13(2)20(24-12-23-18)25-16-7-8-19(17(21)10-16)26-11-14-5-4-6-15(22)9-14/h4-10,12H,3,11H2,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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))	BDBM50338610 (CHEMBL1683956 | N-(3-chloro-4-(3-fluorobenzyloxy)p...) Show SMILES CCc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C Show InChI InChI=1S/C20H19ClFN3O/c1-3-18-13(2)20(24-12-23-18)25-16-7-8-19(17(21)10-16)26-11-14-5-4-6-15(22)9-14/h4-10,12H,3,11H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	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