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SMILES: C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1

InChI Key: InChIKey=NRLAWORQYLUKAL-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50333381   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333381 ((S)-N-(3-ethynylphenyl)-5-((morpholin-2-ylmethoxy)...) Show SMILES C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1 |r| Show InChI InChI=1S/C20H21N5O2/c1-2-15-4-3-5-17(10-15)24-20-19-16(6-8-25(19)23-14-22-20)12-26-13-18-11-21-7-9-27-18/h1,3-6,8,10,14,18,21H,7,9,11-13H2,(H,22,23,24)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333381 ((S)-N-(3-ethynylphenyl)-5-((morpholin-2-ylmethoxy)...) Show SMILES C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1 |r| Show InChI InChI=1S/C20H21N5O2/c1-2-15-4-3-5-17(10-15)24-20-19-16(6-8-25(19)23-14-22-20)12-26-13-18-11-21-7-9-27-18/h1,3-6,8,10,14,18,21H,7,9,11-13H2,(H,22,23,24)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair