BDBM50034767 (E)-7-(4-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-yl]-pentyloxy}-phenyl)-7-pyridin-3-yl-hept-6-enoic acid::CHEMBL297385

SMILES: OC(=O)CCCC\C=C(/c1ccc(OCCCCC[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1

InChI Key: InChIKey=PWTMNISPNXXBQR-NFFBXMDYSA-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 = 50034767   

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))	BDBM50034767 ((E)-7-(4-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...) Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCCCC[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1 Show InChI InChI=1S/C39H47NO8/c41-35-17-10-9-16-34(35)39-31(13-4-1-6-18-36(42)43)28-47-38(48-39)20-8-3-11-26-46-32-23-21-29(22-24-32)33(30-14-12-25-40-27-30)15-5-2-7-19-37(44)45/h1,4,9-10,12,14-17,21-25,27,31,38-39,41H,2-3,5-8,11,13,18-20,26,28H2,(H,42,43)(H,44,45)/b4-1-,33-15+/t31-,38+,39+/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