BDBM50036355 (Z)-6-{2-[1-(2-Cyano-4-fluoro-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid::CHEMBL161063

SMILES: CC(C)(Oc1ccc(F)cc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1

InChI Key: InChIKey=HPSQIZCEFQTPOE-ARJAWSKDSA-N

Data: 2 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 2 hits for monomerid = 50036355   

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
Prostaglandin I2 synthase (Homo sapiens (Human))	BDBM50036355 ((Z)-6-{2-[1-(2-Cyano-4-fluoro-phenoxy)-1-methyl-et...) Show SMILES CC(C)(Oc1ccc(F)cc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H27FN2O5/c1-25(2,33-21-11-10-20(26)13-19(21)14-27)24-31-16-18(7-4-3-5-9-22(29)30)23(32-24)17-8-6-12-28-15-17/h3-4,6,8,10-13,15,18,23-24H,5,7,9,16H2,1-2H3,(H,29,30)/b4-3-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of Prostaglandin I2 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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50036355 ((Z)-6-{2-[1-(2-Cyano-4-fluoro-phenoxy)-1-methyl-et...) Show SMILES CC(C)(Oc1ccc(F)cc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H27FN2O5/c1-25(2,33-21-11-10-20(26)13-19(21)14-27)24-31-16-18(7-4-3-5-9-22(29)30)23(32-24)17-8-6-12-28-15-17/h3-4,6,8,10-13,15,18,23-24H,5,7,9,16H2,1-2H3,(H,29,30)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	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