BDBM15381 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-ynyl-9H-purin-6-amine::8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine::CHEMBL112953::PU1::Purine-Based Inhibitor 8

SMILES: COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N

InChI Key: InChIKey=KCIOVTSUEXGUFJ-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 = 15381   

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)	BDBM15381 (8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+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-beta (Human)	BDBM15381 (8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM15381 (8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM15381 (8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	660	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-alpha/90-beta (Human)	BDBM15381 (8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+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-alpha/90-beta (Human)	BDBM15381 (8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+3	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-alpha (Human)	BDBM15381 (8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair