BDBM54230 8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione::8-(1,3-benzoxazol-2-ylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione::8-(1,3-benzoxazol-2-ylthio)-7-isoamyl-3-methyl-xanthine::8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione::MLS000566582::SMR000174265::cid_3097626

SMILES: CC(C)CCn1c(Sc2nc3ccccc3o2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key: InChIKey=FNGLLPPNVFOTGL-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 54230   

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
Nucleotide-binding oligomerization domain-containing protein 2 (Human)	BDBM54230 (8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Nucleotide-binding oligomerization domain-containing protein 1 (Human)	BDBM54230 (8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tumor necrosis factor (Human)	BDBM54230 (8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair