BDBM50023011 4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-ethoxymethyl]-benzoic acid octyl ester::CHEMBL41093

SMILES: CCCCCCCCOC(=O)c1ccc(COC(COCc2ccc(OC)cc2)Cn2ccnc2)cc1

InChI Key: InChIKey=POACZKAOFZANQC-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 = 50023011   

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))	BDBM50023011 (4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...) Show SMILES CCCCCCCCOC(=O)c1ccc(COC(COCc2ccc(OC)cc2)Cn2ccnc2)cc1 Show InChI InChI=1S/C30H40N2O5/c1-3-4-5-6-7-8-19-36-30(33)27-13-9-26(10-14-27)22-37-29(20-32-18-17-31-24-32)23-35-21-25-11-15-28(34-2)16-12-25/h9-18,24,29H,3-8,19-23H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	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