BDBM50052395 2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-methoxy-ethyl) ester 5-methyl ester::CHEMBL103643

SMILES: COCCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC

InChI Key: InChIKey=AFLMZANIYHHSAR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50052395   

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 A1 (Rattus norvegicus (rat))	BDBM50052395 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:7,t:10| Show InChI InChI=1S/C14H21NO5/c1-8-11(13(16)19-5)9(2)15-10(3)12(8)14(17)20-7-6-18-4/h8,11H,6-7H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.92E+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 [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50052395 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:7,t:10| Show InChI InChI=1S/C14H21NO5/c1-8-11(13(16)19-5)9(2)15-10(3)12(8)14(17)20-7-6-18-4/h8,11H,6-7H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.23E+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 [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair