BDBM50059403 2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-(2-methyl-benzyl) ester::CHEMBL87053

SMILES: CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2C)=C(N=C1C)c1ccccc1

InChI Key: InChIKey=KXVGSOGPXCGOGF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50059403   

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))	BDBM50059403 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2C)=C(N=C1C)c1ccccc1 |c:28,30| Show InChI InChI=1S/C32H29NO4/c1-4-36-31(34)28-23(3)33-30(25-16-9-6-10-17-25)29(27(28)20-19-24-14-7-5-8-15-24)32(35)37-21-26-18-12-11-13-22(26)2/h5-18,27-28H,4,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	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 [125I]-AB-MECA binding at human adenosine A3 receptor.				J Med Chem 40: 2596-608 (1997) Article DOI: 10.1021/jm970091j BindingDB Entry DOI: 10.7270/Q21V5D29
					More data for this Ligand-Target Pair