BDBM50034764 5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-yl]-2-(2-imidazol-1-yl-ethoxy)-benzoic acid::CHEMBL294952

SMILES: OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccc(OCCn2ccnc2)c(c1)C(O)=O

InChI Key: InChIKey=BRWFSSYVKUPIOY-NABMPJHXSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50034764   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50034764 (5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-h...) Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccc(OCCn2ccnc2)c(c1)C(O)=O Show InChI InChI=1S/C28H30N2O8/c31-23-8-5-4-7-21(23)26-20(6-2-1-3-9-25(32)33)17-37-28(38-26)19-10-11-24(22(16-19)27(34)35)36-15-14-30-13-12-29-18-30/h1-2,4-5,7-8,10-13,16,18,20,26,28,31H,3,6,9,14-15,17H2,(H,32,33)(H,34,35)/b2-1-/t20-,26+,28+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human microsomal thromboxane synthase.				J Med Chem 38: 1608-28 (1995) BindingDB Entry DOI: 10.7270/Q2319TWW
					More data for this Ligand-Target Pair