BDBM50081678 2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-pyridinium; iodide::CHEMBL340552

SMILES: CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1

InChI Key: InChIKey=TXHVSWXZNWCEIS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50081678   

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))	BDBM50081678 (2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...) Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C24H30NO3S/c1-5-18-19(23(26)28-6-2)21(16-12-9-8-10-13-16)25(4)22(17-14-11-15-17)20(18)24(27)29-7-3/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+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]-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))	BDBM50081678 (2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...) Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C24H30NO3S/c1-5-18-19(23(26)28-6-2)21(16-12-9-8-10-13-16)25(4)22(17-14-11-15-17)20(18)24(27)29-7-3/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.32E+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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50081678 (2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...) Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C24H30NO3S/c1-5-18-19(23(26)28-6-2)21(16-12-9-8-10-13-16)25(4)22(17-14-11-15-17)20(18)24(27)29-7-3/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80E+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]-R-PIA from Adenosine A1 receptor of rat brain membranes				J Med Chem 42: 4232-8 (1999) BindingDB Entry DOI: 10.7270/Q2V69HSC
					More data for this Ligand-Target Pair