BDBM50760 3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-purine-2,6-dione::3-methyl-8-(2-phenylethylsulfanyl)-7-propyl-purine-2,6-dione::3-methyl-8-(2-phenylethylsulfanyl)-7-propylpurine-2,6-dione::3-methyl-8-(2-phenylethylthio)-7-propylpurine-2,6-dione::3-methyl-8-(phenethylthio)-7-propyl-xanthine::MLS000030711::SMR000009144::cid_650170

SMILES: CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key: InChIKey=SGNIXJCUFHSJEL-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50760   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
BZLF2 (Human herpesvirus 4 type 2)	BDBM50760 (3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...) Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM50760 (3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...) Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TD9VS8
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM50760 (3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...) Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JW8CBM
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50760 (3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...) Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V1237V
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM50760 (3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...) Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23J3BDQ
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM50760 (3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...) Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZS2TX1
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50760 (3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...) Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29C6VV1
					More data for this Ligand-Target Pair