Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50363258'   

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 (Homo sapiens (Human))	BDBM50363258 (CHEMBL1944712) Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3ccccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H14ClF2N3O/c22-14-4-3-5-15(11-14)27(18-6-1-2-9-25-18)12-13-10-19(28)26-21-16(13)7-8-17(23)20(21)24/h1-11H,12H2,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Afraxis Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay				Bioorg Med Chem Lett 22: 1237-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.073 BindingDB Entry DOI: 10.7270/Q26W9BJ5
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