BDBM65732 7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione::7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione::7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylthio)xanthine::MLS-0013570.0001::cid_652751

SMILES: COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key: InChIKey=LYERZBXXDDMQGA-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 = 65732   

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
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM65732 (7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...) Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)	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))	BDBM65732 (7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...) Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)	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))	BDBM65732 (7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...) Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)	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))	BDBM65732 (7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...) Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)	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))	BDBM65732 (7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...) Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)	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))	BDBM65732 (7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...) Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)	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