BDBM50358462 CHEMBL1923017

SMILES: Cc1cc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2n1CCOCCO

InChI Key: InChIKey=MCEJMTKEBSFUJK-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 = 50358462   

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))	BDBM50358462 (CHEMBL1923017) Show SMILES Cc1cc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2n1CCOCCO Show InChI InChI=1S/C24H22ClF3N4O3/c1-15-11-20-22(32(15)7-9-34-10-8-33)23(30-14-29-20)31-17-5-6-21(19(25)13-17)35-18-4-2-3-16(12-18)24(26,27)28/h2-6,11-14,33H,7-10H2,1H3,(H,29,30,31)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...				J Med Chem 54: 8030-50 (2011) Article DOI: 10.1021/jm2008634 BindingDB Entry DOI: 10.7270/Q23R0T93
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