BDBM50034754 3-(2-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-yl]-phenoxy}-ethoxy)-4-(2-imidazol-1-yl-ethoxy)-benzoic acid::CHEMBL43756

SMILES: OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccc(OCCOc2cc(ccc2OCCn2ccnc2)C(O)=O)cc1

InChI Key: InChIKey=QRKNGOQXWVGSHX-UMRUFFLZSA-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 = 50034754   

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))	BDBM50034754 (3-(2-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-...) Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccc(OCCOc2cc(ccc2OCCn2ccnc2)C(O)=O)cc1 Show InChI InChI=1S/C36H38N2O10/c39-30-8-5-4-7-29(30)34-27(6-2-1-3-9-33(40)41)23-47-36(48-34)25-10-13-28(14-11-25)44-20-21-46-32-22-26(35(42)43)12-15-31(32)45-19-18-38-17-16-37-24-38/h1-2,4-5,7-8,10-17,22,24,27,34,36,39H,3,6,9,18-21,23H2,(H,40,41)(H,42,43)/b2-1-/t27-,34+,36+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	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