BDBM50034758 (E)-7-(3-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-yl]-benzyloxy}-phenyl)-7-pyridin-3-yl-hept-6-enoic acid::CHEMBL42677

SMILES: OC(=O)CCCC\C=C(\c1cccnc1)c1cccc(OCc2ccc(cc2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)c1

InChI Key: InChIKey=UMBQWNSJEWISAJ-MQVAFMCZSA-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 = 50034758   

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))	BDBM50034758 ((E)-7-(3-{4-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...) Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1cccc(OCc2ccc(cc2)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)c1 Show InChI InChI=1S/C41H43NO8/c43-37-17-8-7-16-36(37)40-33(11-3-1-5-18-38(44)45)28-49-41(50-40)30-22-20-29(21-23-30)27-48-34-14-9-12-31(25-34)35(32-13-10-24-42-26-32)15-4-2-6-19-39(46)47/h1,3,7-10,12-17,20-26,33,40-41,43H,2,4-6,11,18-19,27-28H2,(H,44,45)(H,46,47)/b3-1-,35-15+/t33-,40+,41+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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