null

SMILES: C\C(=C/c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1

InChI Key: InChIKey=ZTCDSBCIETVDQK-XMHGGMMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50338589   

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))	BDBM50338589 (3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...) Show SMILES C\C(=C/c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H31ClFN5O3/c1-19(28(36)31-8-9-35-10-12-37-13-11-35)14-24-20(2)32-18-33-27(24)34-23-6-7-26(25(29)16-23)38-17-21-4-3-5-22(30)15-21/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,31,36)(H,32,33,34)/b19-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	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))	BDBM50338589 (3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...) Show SMILES C\C(=C/c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H31ClFN5O3/c1-19(28(36)31-8-9-35-10-12-37-13-11-35)14-24-20(2)32-18-33-27(24)34-23-6-7-26(25(29)16-23)38-17-21-4-3-5-22(30)15-21/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,31,36)(H,32,33,34)/b19-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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