BDBM50180310 2-fluoro-8-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-9-(pent-4-ynyl)adenine::CHEMBL199283::US10676476, Example 6

SMILES: Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Br)nc12

InChI Key: InChIKey=QGPOJWKORWNCCI-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 = 50180310   

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)	BDBM50180310 (2-fluoro-8-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-9...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	56.5	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)	BDBM50180310 (2-fluoro-8-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-9...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	210	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)	BDBM50180310 (2-fluoro-8-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-9...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	30.5	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)	BDBM50180310 (2-fluoro-8-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-9...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	56.5	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)	BDBM50180310 (2-fluoro-8-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-9...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair