Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50341688'   

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))	BDBM50341688 (4,4'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...) Show SMILES Cc1cc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)cc(N)n1 Show InChI InChI=1S/C22H26N4/c1-15-10-19(13-21(23)25-15)8-6-17-4-3-5-18(12-17)7-9-20-11-16(2)26-22(24)14-20/h3-5,10-14H,6-9H2,1-2H3,(H2,23,25)(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	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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