Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50170718'   

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))	BDBM50170718 (6-Phenyl-N*4*,N*4*-dipropyl-5,6,7,8-tetrahydro-pte...) Show SMILES CCCN(CCC)c1nc(N)nc2NCC(Nc12)c1ccccc1 Show InChI InChI=1S/C18H26N6/c1-3-10-24(11-4-2)17-15-16(22-18(19)23-17)20-12-14(21-15)13-8-6-5-7-9-13/h5-9,14,21H,3-4,10-12H2,1-2H3,(H3,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Curated by ChEMBL					Assay Description Inhibitory activity against human Nitric oxide synthase-I with 2 uM H4Bip for 30 min				J Med Chem 48: 4783-92 (2005) Article DOI: 10.1021/jm050007x BindingDB Entry DOI: 10.7270/Q28W3CTH
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