BDBM50014917 4-(2-Chloro-phenyl)-2-imidazol-1-ylmethyl-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester : (Hydrochloride)::CHEMBL440006

SMILES: CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1ccccc1Cl)C(=O)OC

InChI Key: InChIKey=QQEILTANMVQRCU-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 = 50014917   

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 A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50014917 (4-(2-Chloro-phenyl)-2-imidazol-1-ylmethyl-6-methyl...) Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:14| Show InChI InChI=1S/C21H22ClN3O4/c1-4-29-21(27)19-16(11-25-10-9-23-12-25)24-13(2)17(20(26)28-3)18(19)14-7-5-6-8-15(14)22/h5-10,12,17-18H,4,11H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research UK Curated by ChEMBL					Assay Description Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg				J Med Chem 33: 646-52 (1990) BindingDB Entry DOI: 10.7270/Q25X29HP
					More data for this Ligand-Target Pair