Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 489.9 BDBM50033380

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

Found 3 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))	BDBM50033380 (CHEMBL3357643) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1 Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033380 (CHEMBL3357643) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1 Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033380 (CHEMBL3357643) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1 Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair