BDBM50036364 (Z)-6-[2-(4-Cyano-phenyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid::CHEMBL159699
SMILES: OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(cc1)C#N
InChI Key: InChIKey=NXCNRQBBNYHOOQ-UPHRSURJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human)) | BDBM50036364 ((Z)-6-[2-(4-Cyano-phenyl)-4-pyridin-3-yl-[1,3]diox...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 24 | 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 | |||||||||||||
Prostaglandin I2 synthase (Homo sapiens (Human)) | BDBM50036364 ((Z)-6-[2-(4-Cyano-phenyl)-4-pyridin-3-yl-[1,3]diox...) | 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 | >1.00E+5 | 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 |