Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50349917'   

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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50349917 (CHEMBL1814725) Show SMILES CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1-c1ccc(cc1)C([O-])=O Show InChI InChI=1S/C22H22O5/c1-13(21(24)25)18-10-5-14(11-17-3-2-4-20(17)23)12-19(18)15-6-8-16(9-7-15)22(26)27/h5-10,12-13,17H,2-4,11H2,1H3,(H,24,25)(H,26,27)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of human whole blood COX-1 assessed as production of TXB2 after 24 hrs by EIA				Bioorg Med Chem 19: 3299-311 (2011) Article DOI: 10.1016/j.bmc.2011.04.050 BindingDB Entry DOI: 10.7270/Q2NZ881Z
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