Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.2 BDBM50353978

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))	BDBM50353978 (CHEMBL1828877) Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1 Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry				Bioorg Med Chem 19: 6069-76 (2011) Article DOI: 10.1016/j.bmc.2011.08.038 BindingDB Entry DOI: 10.7270/Q2DF6RM8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50353978 (CHEMBL1828877) Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1 Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry				Bioorg Med Chem 19: 6069-76 (2011) Article DOI: 10.1016/j.bmc.2011.08.038 BindingDB Entry DOI: 10.7270/Q2DF6RM8
					More data for this Ligand-Target Pair