Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50104657'   

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))	BDBM50104657 (((E)-3-But-2-enyl)-[1,4]oxazepan-(5Z)-ylideneamine...) Show SMILES C\C=C\CC1COCCC(N)=N1 |c:10| Show InChI InChI=1S/C9H16N2O/c1-2-3-4-8-7-12-6-5-9(10)11-8/h2-3,8H,4-7H2,1H3,(H2,10,11)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
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