Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 285.3 BDBM50037052

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 (Rattus norvegicus)	BDBM50037052 (4,7-Dimethyl-2-[(pyridin-3-ylmethyl)-amino]-benzot...) Show SMILES Cc1cc(O)c(C)c2sc(NCc3cccnc3)nc12 Show InChI InChI=1S/C15H15N3OS/c1-9-6-12(19)10(2)14-13(9)18-15(20-14)17-8-11-4-3-5-16-7-11/h3-7,19H,8H2,1-2H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair