BDBM50074236 6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propyl)-2-phenyl-nicotinic acid propyl ester::CHEMBL159631

SMILES: CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1

InChI Key: InChIKey=YKKPZLCOBPPVSV-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 = 50074236   

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))	BDBM50074236 (6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propy...) Show SMILES CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1 Show InChI InChI=1S/C23H29NO4S/c1-4-15-28-22(26)20-17(13-10-14-25)19(23(27)29-6-3)18(5-2)24-21(20)16-11-8-7-9-12-16/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	169	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))	BDBM50074236 (6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propy...) Show SMILES CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1 Show InChI InChI=1S/C23H29NO4S/c1-4-15-28-22(26)20-17(13-10-14-25)19(23(27)29-6-3)18(5-2)24-21(20)16-11-8-7-9-12-16/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.76E+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))	BDBM50074236 (6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propy...) Show SMILES CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1 Show InChI InChI=1S/C23H29NO4S/c1-4-15-28-22(26)20-17(13-10-14-25)19(23(27)29-6-3)18(5-2)24-21(20)16-11-8-7-9-12-16/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.06E+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