BDBM20790 2-amino-6-halopurine analogue, 18b::9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-6-chloro-9H-purin-2-amine

SMILES: COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Br)c(OC)c1OC

InChI Key: InChIKey=PFLBIBKFAHQQGR-UHFFFAOYSA-N

Data: 1 EC50

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 = 20790   

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
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20790 (2-amino-6-halopurine analogue, 18b | 9-[(2-bromo-3...) Show SMILES COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Br)c(OC)c1OC Show InChI InChI=1S/C15H15BrClN5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair