BDBM50054668 4-[(E)-2-(4-Amino-phenyl)-vinyl]-2-methyl-6-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester::CHEMBL419306

SMILES: CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1

InChI Key: InChIKey=MMQZHPXGOVDJLH-DTQAZKPQSA-N

Data: 4 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 4 hits for monomerid = 50054668   

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))	BDBM50054668 (4-[(E)-2-(4-Amino-phenyl)-vinyl]-2-methyl-6-phenyl...) Show SMILES CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24| Show InChI InChI=1S/C26H28N2O4/c1-4-31-25(29)22-17(3)28-24(19-9-7-6-8-10-19)23(26(30)32-5-2)21(22)16-13-18-11-14-20(27)15-12-18/h6-16,21-22H,4-5,27H2,1-3H3/b16-13+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054668 (4-[(E)-2-(4-Amino-phenyl)-vinyl]-2-methyl-6-phenyl...) Show SMILES CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24| Show InChI InChI=1S/C26H28N2O4/c1-4-31-25(29)22-17(3)28-24(19-9-7-6-8-10-19)23(26(30)32-5-2)21(22)16-13-18-11-14-20(27)15-12-18/h6-16,21-22H,4-5,27H2,1-3H3/b16-13+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	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))	BDBM50054668 (4-[(E)-2-(4-Amino-phenyl)-vinyl]-2-methyl-6-phenyl...) Show SMILES CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24| Show InChI InChI=1S/C26H28N2O4/c1-4-31-25(29)22-17(3)28-24(19-9-7-6-8-10-19)23(26(30)32-5-2)21(22)16-13-18-11-14-20(27)15-12-18/h6-16,21-22H,4-5,27H2,1-3H3/b16-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 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))	BDBM50054668 (4-[(E)-2-(4-Amino-phenyl)-vinyl]-2-methyl-6-phenyl...) Show SMILES CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24| Show InChI InChI=1S/C26H28N2O4/c1-4-31-25(29)22-17(3)28-24(19-9-7-6-8-10-19)23(26(30)32-5-2)21(22)16-13-18-11-14-20(27)15-12-18/h6-16,21-22H,4-5,27H2,1-3H3/b16-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+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