BDBM50052388 2,6-Dimethyl-4-propyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester::CHEMBL100003

SMILES: CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC

InChI Key: InChIKey=ZRKHGRYEMRYQCJ-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 = 50052388   

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))	BDBM50052388 (2,6-Dimethyl-4-propyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13| Show InChI InChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11-12H,6-8H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.51E+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 [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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50052388 (2,6-Dimethyl-4-propyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13| Show InChI InChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11-12H,6-8H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.17E+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 [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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50052388 (2,6-Dimethyl-4-propyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13| Show InChI InChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11-12H,6-8H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+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]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal 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