Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50341689'   

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 (Rattus norvegicus (rat))	BDBM50341689 (4-(4-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenet...) Show SMILES Cc1cc(N)nc(CCc2ccc(CCc3cc(C)nc(N)c3)cc2)c1 Show InChI InChI=1S/C22H26N4/c1-15-11-20(26-21(23)12-15)10-9-18-5-3-17(4-6-18)7-8-19-13-16(2)25-22(24)14-19/h3-6,11-14H,7-10H2,1-2H3,(H2,23,26)(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by UV-vis spectrometric analysis				J Med Chem 54: 2039-48 (2011) Article DOI: 10.1021/jm101071n BindingDB Entry DOI: 10.7270/Q2571CB0
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