Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM111492'   

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))	BDBM111492 (US8618286, 18) Show SMILES NC(=Nc1ccc2N(CCN3CCC[C@H]3C(O)=O)CCSc2c1)c1cccs1 |r,w:2.2| Show InChI InChI=1S/C20H24N4O2S2/c21-19(17-4-2-11-27-17)22-14-5-6-15-18(13-14)28-12-10-24(15)9-8-23-7-1-3-16(23)20(25)26/h2,4-6,11,13,16H,1,3,7-10,12H2,(H2,21,22)(H,25,26)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
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