Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.4 BDBM50489203

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))	BDBM50489203 (METACHROMIN A) Show SMILES COC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O |r,t:2,7| Show InChI InChI=1S/C22H30O4/c1-14(10-12-22(4)11-6-7-15(2)16(22)3)8-9-17-20(24)18(23)13-19(26-5)21(17)25/h8,13,15,24H,3,6-7,9-12H2,1-2,4-5H3/b14-8+/t15-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) by Z-LYTE assay				Bioorg Med Chem Lett 23: 117-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.001 BindingDB Entry DOI: 10.7270/Q2639SMH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50489203 (METACHROMIN A) Show SMILES COC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O |r,t:2,7| Show InChI InChI=1S/C22H30O4/c1-14(10-12-22(4)11-6-7-15(2)16(22)3)8-9-17-20(24)18(23)13-19(26-5)21(17)25/h8,13,15,24H,3,6-7,9-12H2,1-2,4-5H3/b14-8+/t15-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of HER2 (unknown origin) by Z-LYTE assay				Bioorg Med Chem Lett 23: 117-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.001 BindingDB Entry DOI: 10.7270/Q2639SMH
					More data for this Ligand-Target Pair