BDBM50054666 2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-benzyl ester 3-ethyl ester::CHEMBL337552

SMILES: CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1

InChI Key: InChIKey=QENKGEVIUOCSBV-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 = 50054666   

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))	BDBM50054666 (2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21| Show InChI InChI=1S/C24H25NO4/c1-4-28-23(26)20-16(2)21(24(27)29-15-18-11-7-5-8-12-18)22(25-17(20)3)19-13-9-6-10-14-19/h5-14,16,20H,4,15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+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 Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50054666 (2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21| Show InChI InChI=1S/C24H25NO4/c1-4-28-23(26)20-16(2)21(24(27)29-15-18-11-7-5-8-12-18)22(25-17(20)3)19-13-9-6-10-14-19/h5-14,16,20H,4,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.15E+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]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054666 (2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21| Show InChI InChI=1S/C24H25NO4/c1-4-28-23(26)20-16(2)21(24(27)29-15-18-11-7-5-8-12-18)22(25-17(20)3)19-13-9-6-10-14-19/h5-14,16,20H,4,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+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 Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair