BDBM50052386 4-(2,6-Dimethyl-hept-5-enyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester::CHEMBL101162

SMILES: [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6]

InChI Key: InChIKey=RPAMSRFRGHBFFM-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 = 50052386   

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))	BDBM50052386 (4-(2,6-Dimethyl-hept-5-enyl)-2,6-dimethyl-1,4-dihy...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8| Show InChI InChI=1S/C21H33NO4/c1-8-26-21(24)19-16(6)22-15(5)18(20(23)25-7)17(19)12-14(4)11-9-10-13(2)3/h10,14,17-18H,8-9,11-12H2,1-7H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+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 [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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50052386 (4-(2,6-Dimethyl-hept-5-enyl)-2,6-dimethyl-1,4-dihy...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8| Show InChI InChI=1S/C21H33NO4/c1-8-26-21(24)19-16(6)22-15(5)18(20(23)25-7)17(19)12-14(4)11-9-10-13(2)3/h10,14,17-18H,8-9,11-12H2,1-7H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+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](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))	BDBM50052386 (4-(2,6-Dimethyl-hept-5-enyl)-2,6-dimethyl-1,4-dihy...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8| Show InChI InChI=1S/C21H33NO4/c1-8-26-21(24)19-16(6)22-15(5)18(20(23)25-7)17(19)12-14(4)11-9-10-13(2)3/h10,14,17-18H,8-9,11-12H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.31E+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 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