Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50065368'   

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))	BDBM50065368 ((S)-2-Amino-5-(2-nitro-4-trifluoromethyl-phenylami...) Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(O)=O Show InChI InChI=1S/C12H14F3N3O4/c13-12(14,15)7-3-4-9(10(6-7)18(21)22)17-5-1-2-8(16)11(19)20/h3-4,6,8,17H,1-2,5,16H2,(H,19,20)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
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