BDBM50190448 5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-nicotinic acid ethyl ester::CHEMBL111423::ethyl 5-(ethylthiocarbonyl)-6-methyl-2-phenyl-4-propylnicotinate

SMILES: CCCc1c(C(=O)SCC)c(C)nc(-c2ccccc2)c1C(=O)OCC

InChI Key: InChIKey=COIYLGMUGWDDPB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50190448   

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))	BDBM50190448 (5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl...) Show SMILES CCCc1c(C(=O)SCC)c(C)nc(-c2ccccc2)c1C(=O)OCC Show InChI InChI=1S/C21H25NO3S/c1-5-11-16-17(21(24)26-7-3)14(4)22-19(15-12-9-8-10-13-15)18(16)20(23)25-6-2/h8-10,12-13H,5-7,11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair