Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50115777'   

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
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50115777 ((E)-1-(4'-Fluorophenyl)-3-(3'',4'',5''-trimethoxyp...) Show SMILES COc1cc(\C=C\C(=O)c2ccc(F)cc2)cc(OC)c1OC Show InChI InChI=1S/C18H17FO4/c1-21-16-10-12(11-17(22-2)18(16)23-3)4-9-15(20)13-5-7-14(19)8-6-13/h4-11H,1-3H3/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to produce 50% inhibition of the response was determined				Bioorg Med Chem Lett 12: 1951-4 (2002) BindingDB Entry DOI: 10.7270/Q2M61JKW
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