Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostacyclin synthase' and Ligand = 'BDBM50036386'   

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))	BDBM50036386 ((Z)-6-{2-[1-(4-Methanesulfonyl-phenoxy)-1-methyl-e...) Show SMILES CC(C)(Oc1ccc(cc1)S(C)(=O)=O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H31NO7S/c1-25(2,33-20-11-13-21(14-12-20)34(3,29)30)24-31-17-19(8-5-4-6-10-22(27)28)23(32-24)18-9-7-15-26-16-18/h4-5,7,9,11-16,19,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-	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	8.00E+3	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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