Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.5 BDBM50204141

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204141 ((R)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6COCCN6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)13-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)14-36-16-23-15-35-9-7-28-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204141 ((R)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6COCCN6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)13-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)14-36-16-23-15-35-9-7-28-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair