Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 299.3 BDBM50053766

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

Found 2 hits 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 A2 receptor (Homo sapiens (Human))	BDBM50053766 (5-[1-Phenyl-1-pyridazin-3-yl-meth-(Z)-ylideneamino...) Show SMILES OC(=O)CCCCO\N=C(\c1ccccc1)c1cccnn1 Show InChI InChI=1S/C16H17N3O3/c20-15(21)10-4-5-12-22-19-16(13-7-2-1-3-8-13)14-9-6-11-17-18-14/h1-3,6-9,11H,4-5,10,12H2,(H,20,21)/b19-16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets				J Med Chem 39: 4058-64 (1996) Article DOI: 10.1021/jm960341g BindingDB Entry DOI: 10.7270/Q2ZP456G
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50053766 (5-[1-Phenyl-1-pyridazin-3-yl-meth-(Z)-ylideneamino...) Show SMILES OC(=O)CCCCO\N=C(\c1ccccc1)c1cccnn1 Show InChI InChI=1S/C16H17N3O3/c20-15(21)10-4-5-12-22-19-16(13-7-2-1-3-8-13)14-9-6-11-17-18-14/h1-3,6-9,11H,4-5,10,12H2,(H,20,21)/b19-16-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]-arachidonic acid				J Med Chem 39: 4058-64 (1996) Article DOI: 10.1021/jm960341g BindingDB Entry DOI: 10.7270/Q2ZP456G
					More data for this Ligand-Target Pair