Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 406.4 BDBM50045949

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)	BDBM50045949 (2,6-Dimethyl-4-(3-pyridin-3-yl-phenyl)-1,4-dihydro...) Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(c1)-c1cccnc1 |c:15,t:12| Show InChI InChI=1S/C24H26N2O4/c1-5-29-23(27)20-15(3)26-16(4)21(24(28)30-6-2)22(20)18-10-7-9-17(13-18)19-11-8-12-25-14-19/h7-14,20,22H,5-6H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Farmitalia Carlo Erba Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane B2 production in rat whole blood.				J Med Chem 36: 2964-72 (1993) BindingDB Entry DOI: 10.7270/Q22R3S9H
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