BDBM50081674 2-Ethyl-3-(3-fluoro-propylsulfanylcarbonyl)-1-methyl-6-phenyl-5-propoxycarbonyl-4-propyl-pyridinium; iodide::CHEMBL424079

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

InChI Key: InChIKey=VXXYHVKUGOONJN-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 = 50081674   

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))	BDBM50081674 (2-Ethyl-3-(3-fluoro-propylsulfanylcarbonyl)-1-meth...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C25H33FNO3S/c1-5-12-19-21(25(29)31-17-11-15-26)20(7-3)27(4)23(18-13-9-8-10-14-18)22(19)24(28)30-16-6-2/h8-10,13-14H,5-7,11-12,15-17H2,1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	465	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))	BDBM50081674 (2-Ethyl-3-(3-fluoro-propylsulfanylcarbonyl)-1-meth...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C25H33FNO3S/c1-5-12-19-21(25(29)31-17-11-15-26)20(7-3)27(4)23(18-13-9-8-10-14-18)22(19)24(28)30-16-6-2/h8-10,13-14H,5-7,11-12,15-17H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.37E+3	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