BDBM50116339 CHEMBL3612567

SMILES: COCCn1c2cc3c(Nc4ccc(OCc5nccc(OCC(F)(F)F)c5C)cc4)ncnc3cc2oc1=O

InChI Key: InChIKey=HKIZZBSDAWEIPM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50116339   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50116339 (CHEMBL3612567) Show SMILES COCCn1c2cc3c(Nc4ccc(OCc5nccc(OCC(F)(F)F)c5C)cc4)ncnc3cc2oc1=O Show InChI InChI=1S/C27H24F3N5O5/c1-16-21(31-8-7-23(16)39-14-27(28,29)30)13-38-18-5-3-17(4-6-18)34-25-19-11-22-24(12-20(19)32-15-33-25)40-26(36)35(22)9-10-37-2/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA				Eur J Med Chem 101: 462-75 (2015) BindingDB Entry DOI: 10.7270/Q21V5GSJ
					More data for this Ligand-Target Pair