Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain [D597N]' and Ligand = 'BDBM152712'   

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 [D597N] (Rattus norvegicus (rat))	BDBM152712 (4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...) Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	139	-40.7	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)