BDBM50052382 2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester::CHEMBL39632

SMILES: CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC

InChI Key: InChIKey=NKEHLQYIEPCXNA-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 = 50052382   

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))	BDBM50052382 (2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C19H20F3NO4/c1-5-27-18(25)15-11(3)23-10(2)14(17(24)26-4)16(15)12-8-6-7-9-13(12)19(20,21)22/h6-9,14,16H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.68E+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 receptor A3 (Homo sapiens (Human))	BDBM50052382 (2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C19H20F3NO4/c1-5-27-18(25)15-11(3)23-10(2)14(17(24)26-4)16(15)12-8-6-7-9-13(12)19(20,21)22/h6-9,14,16H,5H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50052382 (2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C19H20F3NO4/c1-5-27-18(25)15-11(3)23-10(2)14(17(24)26-4)16(15)12-8-6-7-9-13(12)19(20,21)22/h6-9,14,16H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.07E+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