Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50150883'   

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, brain (Homo sapiens (Human))	BDBM50150883 (6-[4-(2-Dimethylamino-ethoxy)-2,5-dimethoxy-phenyl...) Show SMILES COc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1 Show InChI InChI=1S/C17H23N3O3/c1-20(2)8-9-23-16-11-14(21-3)12(10-15(16)22-4)13-6-5-7-17(18)19-13/h5-7,10-11H,8-9H2,1-4H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase in human				Bioorg Med Chem Lett 14: 4511-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.043 BindingDB Entry DOI: 10.7270/Q28S4QP6
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