Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 306.3 BDBM50232327

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))	BDBM50232327 (CHEMBL4084249) Show SMILES COc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C17H14N4O2/c1-22-12-8-6-11(7-9-12)17-21-20-16(23-17)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232327 (CHEMBL4084249) Show SMILES COc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C17H14N4O2/c1-22-12-8-6-11(7-9-12)17-21-20-16(23-17)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50232327 (CHEMBL4084249) Show SMILES COc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C17H14N4O2/c1-22-12-8-6-11(7-9-12)17-21-20-16(23-17)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair