Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 608.6 BDBM50034768

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))	BDBM50034768 (3-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(...) Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@H](CCCCCOc2cc(ccc2OCCn2ccnc2)C(O)=O)O[C@@H]1c1ccccc1O Show InChI InChI=1S/C33H40N2O9/c36-27-11-7-6-10-26(27)32-25(9-3-1-4-12-30(37)38)22-43-31(44-32)13-5-2-8-19-41-29-21-24(33(39)40)14-15-28(29)42-20-18-35-17-16-34-23-35/h1,3,6-7,10-11,14-17,21,23,25,31-32,36H,2,4-5,8-9,12-13,18-20,22H2,(H,37,38)(H,39,40)/b3-1-/t25-,31+,32+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human microsomal thromboxane synthase.				J Med Chem 38: 1608-28 (1995) BindingDB Entry DOI: 10.7270/Q2319TWW
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