Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 315.3 BDBM50037727

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-A synthase (Rattus norvegicus)	BDBM50037727 (6-[2-Imidazol-1-yl-1-phenyl-eth-(Z)-ylideneaminoox...) Show SMILES OC(=O)CCCCCO\N=C(/Cn1ccnc1)c1ccccc1 Show InChI InChI=1S/C17H21N3O3/c21-17(22)9-5-2-6-12-23-19-16(13-20-11-10-18-14-20)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,14H,2,5-6,9,12-13H2,(H,21,22)/b19-16+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia-Farmitalia Carlo Erba Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade				J Med Chem 37: 3588-604 (1994) BindingDB Entry DOI: 10.7270/Q2C24VFD
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50037727 (6-[2-Imidazol-1-yl-1-phenyl-eth-(Z)-ylideneaminoox...) Show SMILES OC(=O)CCCCCO\N=C(/Cn1ccnc1)c1ccccc1 Show InChI InChI=1S/C17H21N3O3/c21-17(22)9-5-2-6-12-23-19-16(13-20-11-10-18-14-20)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,14H,2,5-6,9,12-13H2,(H,21,22)/b19-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia-Farmitalia Carlo Erba Curated by ChEMBL					Assay Description In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets				J Med Chem 37: 3588-604 (1994) BindingDB Entry DOI: 10.7270/Q2C24VFD
					More data for this Ligand-Target Pair