Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.2 BDBM50308937

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

Found 2 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308937 (4-(Bis(2-chloroethyl)amino)-N-methyl-N-phenylbenza...) Show SMILES CN(C(=O)c1ccc(cc1)N(CCCl)CCCl)c1ccccc1 Show InChI InChI=1S/C18H20Cl2N2O/c1-21(16-5-3-2-4-6-16)18(23)15-7-9-17(10-8-15)22(13-11-19)14-12-20/h2-10H,11-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308937 (4-(Bis(2-chloroethyl)amino)-N-methyl-N-phenylbenza...) Show SMILES CN(C(=O)c1ccc(cc1)N(CCCl)CCCl)c1ccccc1 Show InChI InChI=1S/C18H20Cl2N2O/c1-21(16-5-3-2-4-6-16)18(23)15-7-9-17(10-8-15)22(13-11-19)14-12-20/h2-10H,11-14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair