Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.4 BDBM50368037

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50368037 (CHEMBL1744226) Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(CCn2ccnc2)N=C1C)c1ccccc1[N+]([O-])=O |c:22,t:12| Show InChI InChI=1S/C23H26N4O6/c1-4-32-22(28)19-15(3)25-17(10-12-26-13-11-24-14-26)21(23(29)33-5-2)20(19)16-8-6-7-9-18(16)27(30)31/h6-9,11,13-14,19-20H,4-5,10,12H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+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 synthase after oral administration of 0.03 mmol/kg				J Med Chem 33: 646-52 (1990) BindingDB Entry DOI: 10.7270/Q25X29HP
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