Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostacyclin synthase' and Ligand = 'BDBM50036358'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostacyclin synthase (Homo sapiens (Human))	BDBM50036358 ((Z)-6-[2-(2-Cyano-phenyl)-4-pyridin-3-yl-[1,3]diox...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccccc1C#N Show InChI InChI=1S/C22H22N2O4/c23-13-16-7-4-5-10-19(16)22-27-15-18(8-2-1-3-11-20(25)26)21(28-22)17-9-6-12-24-14-17/h1-2,4-7,9-10,12,14,18,21-22H,3,8,11,15H2,(H,25,26)/b2-1-	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
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