Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50059645'   

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)-Rattus norvegicus (rat))	BDBM50059645 ((2R)-2-{[(2R)-2-amino-3-phenylpropanoyl]amino}-5-{...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C15H22N6O5/c16-11(9-10-5-2-1-3-6-10)13(22)19-12(14(23)24)7-4-8-18-15(17)20-21(25)26/h1-3,5-6,11-12H,4,7-9,16H2,(H,19,22)(H,23,24)(H3,17,18,20)/t11-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase				J Med Chem 46: 5700-11 (2003) Checked by Author Article DOI: 10.1021/jm030301u BindingDB Entry DOI: 10.7270/Q26D5TQV
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50059645 ((2R)-2-{[(2R)-2-amino-3-phenylpropanoyl]amino}-5-{...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C15H22N6O5/c16-11(9-10-5-2-1-3-6-10)13(22)19-12(14(23)24)7-4-8-18-15(17)20-21(25)26/h1-3,5-6,11-12H,4,7-9,16H2,(H,19,22)(H,23,24)(H3,17,18,20)/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Neuronal Nitric oxide synthase enzyme (nNOS)				J Med Chem 40: 2813-7 (1997) Article DOI: 10.1021/jm970200u BindingDB Entry DOI: 10.7270/Q2VD704Z
					More data for this Ligand-Target Pair