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
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...) | 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...) | 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 |