BDBM15385 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine::8-(2H-1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine::CHEMBL109822::PUX::Purine-Based Inhibitor 12

SMILES: CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4

InChI Key: InChIKey=ARWHTQLGMWHTAZ-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 15385   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATP-dependent molecular chaperone HSP82 (Baker's yeast)	BDBM15385 (8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	7.4	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Human)	BDBM15385 (8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair