BDBM65730 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide::2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide::2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide::2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide::MLS-0032434.0001::cid_649032

SMILES: CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=MDVZXMPXLZBLCS-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 = 65730   

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))	BDBM65730 (2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfan...) Show SMILES CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H23N7O3S2/c1-5-7-8-24-12-13(22(3)17(27)23(4)14(12)26)19-16(24)28-9-10(25)18-15-21-20-11(6-2)29-15/h5-9H2,1-4H3,(H,18,21,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.92E+3	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))	BDBM65730 (2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfan...) Show SMILES CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H23N7O3S2/c1-5-7-8-24-12-13(22(3)17(27)23(4)14(12)26)19-16(24)28-9-10(25)18-15-21-20-11(6-2)29-15/h5-9H2,1-4H3,(H,18,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.19E+3	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))	BDBM65730 (2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfan...) Show SMILES CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H23N7O3S2/c1-5-7-8-24-12-13(22(3)17(27)23(4)14(12)26)19-16(24)28-9-10(25)18-15-21-20-11(6-2)29-15/h5-9H2,1-4H3,(H,18,21,25)	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	1.30E+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))	BDBM65730 (2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfan...) Show SMILES CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H23N7O3S2/c1-5-7-8-24-12-13(22(3)17(27)23(4)14(12)26)19-16(24)28-9-10(25)18-15-21-20-11(6-2)29-15/h5-9H2,1-4H3,(H,18,21,25)	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	9.39E+3	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))	BDBM65730 (2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfan...) Show SMILES CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H23N7O3S2/c1-5-7-8-24-12-13(22(3)17(27)23(4)14(12)26)19-16(24)28-9-10(25)18-15-21-20-11(6-2)29-15/h5-9H2,1-4H3,(H,18,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.12E+3	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))	BDBM65730 (2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfan...) Show SMILES CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H23N7O3S2/c1-5-7-8-24-12-13(22(3)17(27)23(4)14(12)26)19-16(24)28-9-10(25)18-15-21-20-11(6-2)29-15/h5-9H2,1-4H3,(H,18,21,25)	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	1.31E+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