Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N]' and Ligand = 'BDBM130383'   

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
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM130383 (4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...) Show SMILES Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 |r| Show InChI InChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	393	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
					More data for this Ligand-Target Pair				3D Structure (crystal)