BDBM50074237 6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl)-4-propyl-nicotinic acid propyl ester::CHEMBL163126

SMILES: CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F

InChI Key: InChIKey=UAUKAOXADWGYSE-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 = 50074237   

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))	BDBM50074237 (6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F Show InChI InChI=1S/C23H28FNO3S/c1-5-11-16-19(23(27)29-8-4)18(7-3)25-21(15-12-9-10-13-17(15)24)20(16)22(26)28-14-6-2/h9-10,12-13H,5-8,11,14H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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 specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells				J Med Chem 42: 706-21 (1999) Article DOI: 10.1021/jm980550w BindingDB Entry DOI: 10.7270/Q2TQ60Q0
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50074237 (6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F Show InChI InChI=1S/C23H28FNO3S/c1-5-11-16-19(23(27)29-8-4)18(7-3)25-21(15-12-9-10-13-17(15)24)20(16)22(26)28-14-6-2/h9-10,12-13H,5-8,11,14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.63E+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 Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.				J Med Chem 42: 706-21 (1999) Article DOI: 10.1021/jm980550w BindingDB Entry DOI: 10.7270/Q2TQ60Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50074237 (6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F Show InChI InChI=1S/C23H28FNO3S/c1-5-11-16-19(23(27)29-8-4)18(7-3)25-21(15-12-9-10-13-17(15)24)20(16)22(26)28-14-6-2/h9-10,12-13H,5-8,11,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.35E+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 specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.				J Med Chem 42: 706-21 (1999) Article DOI: 10.1021/jm980550w BindingDB Entry DOI: 10.7270/Q2TQ60Q0
					More data for this Ligand-Target Pair