BDBM50180303 2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4-ynyl)-adenine::CHEMBL202777::US10676476, Example 12

SMILES: COc1cc(I)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC

InChI Key: InChIKey=DLZALBVCWWQWAJ-UHFFFAOYSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 50180303   

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
Heat shock protein HSP 90-alpha (Human)	BDBM50180303 (2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...) 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
Receptor tyrosine-protein kinase erbB-2 (Human)	BDBM50180303 (2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+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)	BDBM50180303 (2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...) 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)	BDBM50180303 (2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+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)	BDBM50180303 (2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...) 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