BDBM50073941 CHEMBL3409484

SMILES: CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1

InChI Key: InChIKey=LOOADDNERSICKU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50073941   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50073941 (CHEMBL3409484) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C28H27N5O4S/c1-38(34,35)14-13-29-16-23-11-12-27(37-23)25-15-24-26(17-30-25)31-19-32-28(24)33-21-7-9-22(10-8-21)36-18-20-5-3-2-4-6-20/h2-12,15,17,19,29H,13-14,16,18H2,1H3,(H,31,32,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELV...				Eur J Med Chem 95: 76-95 (2015) Article DOI: 10.1016/j.ejmech.2015.03.029 BindingDB Entry DOI: 10.7270/Q2PR7XP6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50073941 (CHEMBL3409484) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C28H27N5O4S/c1-38(34,35)14-13-29-16-23-11-12-27(37-23)25-15-24-26(17-30-25)31-19-32-28(24)33-21-7-9-22(10-8-21)36-18-20-5-3-2-4-6-20/h2-12,15,17,19,29H,13-14,16,18H2,1H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of EGFR intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAK...				Eur J Med Chem 95: 76-95 (2015) Article DOI: 10.1016/j.ejmech.2015.03.029 BindingDB Entry DOI: 10.7270/Q2PR7XP6
					More data for this Ligand-Target Pair