BDBM15374 9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine::9-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine::CHEMBL113690::PU3::Purine-Based Inhibitor 1

SMILES: CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC

InChI Key: InChIKey=TUOSCZDRWRYPRS-UHFFFAOYSA-N

Data: 4 IC50  3 EC50

PDB links: 2 PDB IDs match 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 7 hits for monomerid = 15374   

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)	BDBM15374 (CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+5	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-beta (Human)	BDBM15374 (CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4.00E+4	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Human)	BDBM15374 (CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Human)	BDBM15374 (CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor tyrosine-protein kinase erbB-2 (Human)	BDBM15374 (CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM15374 (CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM15374 (CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair