BDBM50034751 (E)-7-(4-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-yl]-5-methyl-hexyloxy}-phenyl)-7-pyridin-3-yl-hept-6-enoic acid::CHEMBL263516

SMILES: CC(C)(CCCCOc1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O

InChI Key: InChIKey=ITAHOABBCLVCGE-FLJLBPKESA-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 = 50034751   

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))	BDBM50034751 ((E)-7-(4-{5-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-en...) Show SMILES CC(C)(CCCCOc1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O Show InChI InChI=1S/C41H51NO8/c1-41(2,40-49-29-32(14-5-3-7-19-37(44)45)39(50-40)35-17-9-10-18-36(35)43)25-11-12-27-48-33-23-21-30(22-24-33)34(31-15-13-26-42-28-31)16-6-4-8-20-38(46)47/h3,5,9-10,13,15-18,21-24,26,28,32,39-40,43H,4,6-8,11-12,14,19-20,25,27,29H2,1-2H3,(H,44,45)(H,46,47)/b5-3-,34-16+/t32-,39+,40+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	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