BDBM50036379 (Z)-6-{2-[1-(4-tert-Butyl-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid::CHEMBL159510

SMILES: CC(C)(C)c1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)cc1

InChI Key: InChIKey=OAJFPHGBJOCPCZ-SREVYHEPSA-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 = 50036379   

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))	BDBM50036379 ((Z)-6-{2-[1-(4-tert-Butyl-phenoxy)-1-methyl-ethyl]...) Show SMILES CC(C)(C)c1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)cc1 Show InChI InChI=1S/C28H37NO5/c1-27(2,3)22-13-15-23(16-14-22)34-28(4,5)26-32-19-21(10-7-6-8-12-24(30)31)25(33-26)20-11-9-17-29-18-20/h6-7,9,11,13-18,21,25-26H,8,10,12,19H2,1-5H3,(H,30,31)/b7-6-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair