Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.9 BDBM50311468

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50311468 (7-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES CCN(CC)CCNC(=O)c1cc2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1 Show InChI InChI=1S/C26H28ClFN6O2/c1-3-34(4-2)11-10-29-26(35)22-13-18-15-30-33-25(24(18)32-22)31-20-8-9-23(21(27)14-20)36-16-17-6-5-7-19(28)12-17/h5-9,12-15,32H,3-4,10-11,16H2,1-2H3,(H,29,35)(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+3	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))	BDBM50311468 (7-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES CCN(CC)CCNC(=O)c1cc2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1 Show InChI InChI=1S/C26H28ClFN6O2/c1-3-34(4-2)11-10-29-26(35)22-13-18-15-30-33-25(24(18)32-22)31-20-8-9-23(21(27)14-20)36-16-17-6-5-7-19(28)12-17/h5-9,12-15,32H,3-4,10-11,16H2,1-2H3,(H,29,35)(H,31,33)	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))	BDBM50311468 (7-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES CCN(CC)CCNC(=O)c1cc2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1 Show InChI InChI=1S/C26H28ClFN6O2/c1-3-34(4-2)11-10-29-26(35)22-13-18-15-30-33-25(24(18)32-22)31-20-8-9-23(21(27)14-20)36-16-17-6-5-7-19(28)12-17/h5-9,12-15,32H,3-4,10-11,16H2,1-2H3,(H,29,35)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.72E+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 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