BDBM50023017 CHEMBL41231::ethyl 4-[2-(4-ethyloxycarbonylbenzyloxy)-1-(1H-1-imidazolylmethyl)ethoxymethyl]benzoate

SMILES: CCOC(=O)c1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)OCC)cc1

InChI Key: InChIKey=VCSHSSAIOFVZTH-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 = 50023017   

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))	BDBM50023017 (CHEMBL41231 | ethyl 4-[2-(4-ethyloxycarbonylbenzyl...) Show SMILES CCOC(=O)c1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)OCC)cc1 Show InChI InChI=1S/C26H30N2O6/c1-3-32-25(29)22-9-5-20(6-10-22)16-31-18-24(15-28-14-13-27-19-28)34-17-21-7-11-23(12-8-21)26(30)33-4-2/h5-14,19,24H,3-4,15-18H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibitory activity against intact human platelet TXA2 formation				J Med Chem 30: 1588-95 (1987) BindingDB Entry DOI: 10.7270/Q20R9NDV
					More data for this Ligand-Target Pair