BDBM50014918 2-Imidazol-1-ylmethyl-6-methyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester : (succinate)::CHEMBL345471

SMILES: CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1ccccc1[N+]([O-])=O)C(=O)OC

InChI Key: InChIKey=QSLSXLZMKAFQHT-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 = 50014918   

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))	BDBM50014918 (2-Imidazol-1-ylmethyl-6-methyl-4-(2-nitro-phenyl)-...) Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(C)C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:5,t:14| Show InChI InChI=1S/C21H22N4O6/c1-4-31-21(27)19-15(11-24-10-9-22-12-24)23-13(2)17(20(26)30-3)18(19)14-7-5-6-8-16(14)25(28)29/h5-10,12,17-18H,4,11H2,1-3H3	KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research UK Curated by ChEMBL					Assay Description Inhibition of Thromboxane A2 synthetase 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