BDBM50074213 5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester::CHEMBL163488

SMILES: CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1

InChI Key: InChIKey=YSNBDPJLNZJYOS-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 = 50074213   

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))	BDBM50074213 (5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[...) Show SMILES CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1 Show InChI InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50074213 (5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[...) Show SMILES CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1 Show InChI InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50074213 (5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[...) Show SMILES CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1 Show InChI InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.36E+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