null

SMILES: CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1

InChI Key: InChIKey=QXWHKOZXCRDBND-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50311464   

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))	BDBM50311464 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1 Show InChI InChI=1S/C28H31ClFN7O2/c1-18-25-23(34-26(18)28(38)31-8-9-37-12-10-36(2)11-13-37)16-32-35-27(25)33-21-6-7-24(22(29)15-21)39-17-19-4-3-5-20(30)14-19/h3-7,14-16,34H,8-13,17H2,1-2H3,(H,31,38)(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	843	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311464 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1 Show InChI InChI=1S/C28H31ClFN7O2/c1-18-25-23(34-26(18)28(38)31-8-9-37-12-10-36(2)11-13-37)16-32-35-27(25)33-21-6-7-24(22(29)15-21)39-17-19-4-3-5-20(30)14-19/h3-7,14-16,34H,8-13,17H2,1-2H3,(H,31,38)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311464 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1 Show InChI InChI=1S/C28H31ClFN7O2/c1-18-25-23(34-26(18)28(38)31-8-9-37-12-10-36(2)11-13-37)16-32-35-27(25)33-21-6-7-24(22(29)15-21)39-17-19-4-3-5-20(30)14-19/h3-7,14-16,34H,8-13,17H2,1-2H3,(H,31,38)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair