Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 188.1 BDBM50200755Purchase

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

Found 1 hit 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))	BDBM50200755 (4-(4-fluorophenyl)-5-cyano-2H-1,2,3-triazole | CHE...) Show SMILES Fc1ccc(cc1)-c1nn[nH]c1C#N Show InChI InChI=1S/C9H5FN4/c10-7-3-1-6(2-4-7)9-8(5-11)12-14-13-9/h1-4H,(H,12,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay				Bioorg Med Chem 15: 1533-8 (2007) Article DOI: 10.1016/j.bmc.2006.09.041 BindingDB Entry DOI: 10.7270/Q2M0452P
					More data for this Ligand-Target Pair