BDBM50023009 4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-ethoxymethyl]-benzoic acid benzyl ester::CHEMBL39150

SMILES: COc1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=FOENCGHEGSIBTJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50023009   

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 (Homo sapiens (Human))	BDBM50023009 (4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...) Show SMILES COc1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C29H30N2O5/c1-33-27-13-9-24(10-14-27)18-34-21-28(17-31-16-15-30-22-31)35-19-25-7-11-26(12-8-25)29(32)36-20-23-5-3-2-4-6-23/h2-16,22,28H,17-21H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.49E+3	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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50023009 (4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...) Show SMILES COc1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C29H30N2O5/c1-33-27-13-9-24(10-14-27)18-34-21-28(17-31-16-15-30-22-31)35-19-25-7-11-26(12-8-25)29(32)36-20-23-5-3-2-4-6-23/h2-16,22,28H,17-21H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human platelet microsomal TXA2 synthase				J Med Chem 30: 1588-95 (1987) BindingDB Entry DOI: 10.7270/Q20R9NDV
					More data for this Ligand-Target Pair