Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 671.1 BDBM50547260

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))	BDBM50547260 (CHEMBL4757450) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1-c1cccc(NC(=O)C=C)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair