BDBM50045952 5-Acetyl-4-(3-imidazol-1-yl-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3-carboxylic acid methyl ester::CHEMBL100671

SMILES: COC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)-n1ccnc1)C(C)=O

InChI Key: InChIKey=UJAHDTMHZHCWSM-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 = 50045952   

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)	BDBM50045952 (5-Acetyl-4-(3-imidazol-1-yl-phenyl)-2,6-dimethyl-1...) Show SMILES COC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)-n1ccnc1)C(C)=O |c:4,t:7| Show InChI InChI=1S/C20H21N3O3/c1-12-17(14(3)24)19(18(13(2)22-12)20(25)26-4)15-6-5-7-16(10-15)23-9-8-21-11-23/h5-11,17,19H,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	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