Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 630.7 BDBM50109135

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))	BDBM50109135 (5-[1-Pyridin-3-yl-1-{4-[4-(2-pyridin-3-yl-thiazoli...) Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1CSC(N1)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C33H38N6O5S/c1-2-43-29(40)9-3-4-20-44-37-30(26-7-5-14-34-21-26)24-10-12-25(13-11-24)32(41)38-16-18-39(19-17-38)33(42)28-23-45-31(36-28)27-8-6-15-35-22-27/h5-8,10-15,21-22,28,31,36H,2-4,9,16-20,23H2,1H3/b37-30+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Nikken Chemicals Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.				Bioorg Med Chem Lett 12: 341-4 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P56
					More data for this Ligand-Target Pair