BDBM50054664 2-Methyl-6-(4-nitro-phenyl)-4-((E)-styryl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester::CHEMBL140693

SMILES: CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=OOXUYGQRUGHTMH-UORWAVEVSA-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 = 50054664   

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))	BDBM50054664 (2-Methyl-6-(4-nitro-phenyl)-4-((E)-styryl)-1,4-dih...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21| Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-12-14-20(15-13-19)28(31)32)23(26(30)34-5-2)21(22)16-11-18-9-7-6-8-10-18/h6-16,21,30H,4-5H2,1-3H3/b16-11+,26-23-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.14E+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 receptor A1 (Rattus norvegicus (rat))	BDBM50054664 (2-Methyl-6-(4-nitro-phenyl)-4-((E)-styryl)-1,4-dih...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21| Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-12-14-20(15-13-19)28(31)32)23(26(30)34-5-2)21(22)16-11-18-9-7-6-8-10-18/h6-16,21,30H,4-5H2,1-3H3/b16-11+,26-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50054664 (2-Methyl-6-(4-nitro-phenyl)-4-((E)-styryl)-1,4-dih...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21| Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-12-14-20(15-13-19)28(31)32)23(26(30)34-5-2)21(22)16-11-18-9-7-6-8-10-18/h6-16,21,30H,4-5H2,1-3H3/b16-11+,26-23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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