BDBM50081676 4-(2-Acetylsulfanyl-ethyl)-2-ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-5-propoxycarbonyl-pyridinium; iodide::CHEMBL274501

SMILES: CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1

InChI Key: InChIKey=NXHIQZAIOWTQSF-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50081676   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50081676 (4-(2-Acetylsulfanyl-ethyl)-2-ethyl-3-ethylsulfanyl...) Show SMILES CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C25H32NO4S2/c1-6-15-30-24(28)22-19(14-16-32-17(4)27)21(25(29)31-8-3)20(7-2)26(5)23(22)18-12-10-9-11-13-18/h9-13H,6-8,14-16H2,1-5H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	538	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells				J Med Chem 42: 4232-8 (1999) BindingDB Entry DOI: 10.7270/Q2V69HSC
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50081676 (4-(2-Acetylsulfanyl-ethyl)-2-ethyl-3-ethylsulfanyl...) Show SMILES CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C25H32NO4S2/c1-6-15-30-24(28)22-19(14-16-32-17(4)27)21(25(29)31-8-3)20(7-2)26(5)23(22)18-12-10-9-11-13-18/h9-13H,6-8,14-16H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 from Adenosine A2A receptor of rat striatal membranes.				J Med Chem 42: 4232-8 (1999) BindingDB Entry DOI: 10.7270/Q2V69HSC
					More data for this Ligand-Target Pair