Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM29271'   

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))	BDBM29271 (quinolinone, 41) Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H16ClF2N3O2/c1-13-7-8-27-11-18(13)23(31)29(16-4-2-3-15(24)10-16)12-14-9-20(30)28-22-17(14)5-6-19(25)21(22)26/h2-11H,12H2,1H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
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