BDBM65734 3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione::3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylpurine-2,6-dione::3-methyl-8-(3-phenylpropylthio)-7-prop-2-enylpurine-2,6-dione::7-allyl-3-methyl-8-(3-phenylpropylthio)xanthine::MLS-0061481.0001::cid_2989653

SMILES: Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O

InChI Key: InChIKey=BYDCIBXURIFARK-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 65734   

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
G-protein coupled receptor 35 (Human)	BDBM65734 (3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Human)	BDBM65734 (3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tumor necrosis factor (Human)	BDBM65734 (3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Human)	BDBM65734 (3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Human)	BDBM65734 (3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tumor necrosis factor (Human)	BDBM65734 (3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair