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 = 'BDBM190668'   

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))	BDBM190668 (US10759791, Compound 14k | nNOS inhibitor, 6) Show SMILES CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	108	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California , Irvine					Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...				Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX
					More data for this Ligand-Target Pair				3D Structure (crystal)