Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50401282'   

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))	BDBM50401282 (CHEMBL3216566) Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNC1)c1cccs1 Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-3-4-15-12(10-13)6-8-21(15)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...				Eur J Med Chem 55: 94-107 (2012) Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
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