BDBM50045948 4-(3-Imidazol-1-yl-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester::CHEMBL101233

SMILES: CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(c1)-n1ccnc1

InChI Key: InChIKey=YKFZZEOOTVVDDT-UHFFFAOYSA-N

Data: 1 IC50

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 = 50045948   

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
Thromboxane-A synthase (Rattus norvegicus)	BDBM50045948 (4-(3-Imidazol-1-yl-phenyl)-2,6-dimethyl-1,4-dihydr...) Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(c1)-n1ccnc1 |c:15,t:12| Show InChI InChI=1S/C22H25N3O4/c1-5-28-21(26)18-14(3)24-15(4)19(22(27)29-6-2)20(18)16-8-7-9-17(12-16)25-11-10-23-13-25/h7-13,18,20H,5-6H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Farmitalia Carlo Erba Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane B2 production in rat whole blood.				J Med Chem 36: 2964-72 (1993) BindingDB Entry DOI: 10.7270/Q22R3S9H
					More data for this Ligand-Target Pair