BDBM50052397 2-Butyl-4,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester::CHEMBL103950

SMILES: CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC

InChI Key: InChIKey=BRDPEUFFNPWAQJ-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 = 50052397   

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))	BDBM50052397 (2-Butyl-4,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...) Show SMILES CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4| Show InChI InChI=1S/C17H27NO4/c1-6-9-10-13-15(17(20)22-8-3)11(4)14(12(5)18-13)16(19)21-7-2/h11,14H,6-10H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50052397 (2-Butyl-4,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...) Show SMILES CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4| Show InChI InChI=1S/C17H27NO4/c1-6-9-10-13-15(17(20)22-8-3)11(4)14(12(5)18-13)16(19)21-7-2/h11,14H,6-10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50052397 (2-Butyl-4,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...) Show SMILES CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4| Show InChI InChI=1S/C17H27NO4/c1-6-9-10-13-15(17(20)22-8-3)11(4)14(12(5)18-13)16(19)21-7-2/h11,14H,6-10H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.71E+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