BDBM83552 2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide::2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide::2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[4-(4-methoxyphenyl)-2-thiazolyl]acetamide::2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide::2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide::MLS000564486::SMR000172615::cid_3172868

SMILES: CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=XQIDVDCJAXVZOO-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 83552   

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
mRNA interferase toxin, antitoxin is MazE (Escherichia coli str. K-12 substr. MG1655)	BDBM83552 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C22H24N6O4S2/c1-5-10-28-17-18(26(2)22(31)27(3)19(17)30)25-21(28)34-12-16(29)24-20-23-15(11-33-20)13-6-8-14(32-4)9-7-13/h6-9,11H,5,10,12H2,1-4H3,(H,23,24,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	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 (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54
					More data for this Ligand-Target Pair
Protein Wnt-3a (Mus musculus)	BDBM83552 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C22H24N6O4S2/c1-5-10-28-17-18(26(2)22(31)27(3)19(17)30)25-21(28)34-12-16(29)24-20-23-15(11-33-20)13-6-8-14(32-4)9-7-13/h6-9,11H,5,10,12H2,1-4H3,(H,23,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM83552 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C22H24N6O4S2/c1-5-10-28-17-18(26(2)22(31)27(3)19(17)30)25-21(28)34-12-16(29)24-20-23-15(11-33-20)13-6-8-14(32-4)9-7-13/h6-9,11H,5,10,12H2,1-4H3,(H,23,24,29)	PDB MMDB B.MOAD 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 (2012) BindingDB Entry DOI: 10.7270/Q2862F26
					More data for this Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE (Escherichia coli str. K-12 substr. MG1655)	BDBM83552 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(OC)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C22H24N6O4S2/c1-5-10-28-17-18(26(2)22(31)27(3)19(17)30)25-21(28)34-12-16(29)24-20-23-15(11-33-20)13-6-8-14(32-4)9-7-13/h6-9,11H,5,10,12H2,1-4H3,(H,23,24,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	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 (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB
					More data for this Ligand-Target Pair