BDBM50074238 6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid 2,2,3,3,3-pentafluoro-propyl ester::CHEMBL164200

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

InChI Key: InChIKey=CFXTXARKEUSPHR-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 = 50074238   

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))	BDBM50074238 (6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...) Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F Show InChI InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	446	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 receptor A1 (Rattus norvegicus (rat))	BDBM50074238 (6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...) Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F Show InChI InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.68E+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 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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50074238 (6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...) Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F Show InChI InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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 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