BDBM50034766 (Z)-2-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-yl]-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid::CHEMBL417163

SMILES: OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)C(CCC\C=C(\c1ccccc1)c1cccnc1)C(O)=O

InChI Key: InChIKey=OELNGLHTRBZYJC-REYWESBUSA-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 = 50034766   

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))	BDBM50034766 ((Z)-2-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-...) Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)C(CCC\C=C(\c1ccccc1)c1cccnc1)C(O)=O Show InChI InChI=1S/C34H37NO7/c36-30-19-10-9-17-28(30)32-26(14-5-2-6-20-31(37)38)23-41-34(42-32)29(33(39)40)18-8-7-16-27(24-12-3-1-4-13-24)25-15-11-21-35-22-25/h1-5,9-13,15-17,19,21-22,26,29,32,34,36H,6-8,14,18,20,23H2,(H,37,38)(H,39,40)/b5-2-,27-16-/t26-,29?,32+,34+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	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