Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.3 BDBM50053757

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 (Homo sapiens (Human))	BDBM50053757 (5-[1-Pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-m...) Show SMILES OC(=O)CCCCO\N=C(/c1cccc(c1)C(F)(F)F)c1cncnc1 Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)14-5-3-4-12(8-14)16(13-9-21-11-22-10-13)23-26-7-2-1-6-15(24)25/h3-5,8-11H,1-2,6-7H2,(H,24,25)/b23-16+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50053757 (5-[1-Pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-m...) Show SMILES OC(=O)CCCCO\N=C(/c1cccc(c1)C(F)(F)F)c1cncnc1 Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)14-5-3-4-12(8-14)16(13-9-21-11-22-10-13)23-26-7-2-1-6-15(24)25/h3-5,8-11H,1-2,6-7H2,(H,24,25)/b23-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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