Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50449039'   

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 (Rattus norvegicus (rat))	BDBM50449039 (CHEMBL3126209 | US9212144, 14 (Ex. 16)) Show SMILES Nc1ccc2ccc(CCNCCc3ccc(F)cc3)cc2n1 Show InChI InChI=1S/C19H20FN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	183	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 rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay				J Med Chem 57: 1513-30 (2014) Article DOI: 10.1021/jm401838x BindingDB Entry DOI: 10.7270/Q2MP54SZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50449039 (CHEMBL3126209 | US9212144, 14 (Ex. 16)) Show SMILES Nc1ccc2ccc(CCNCCc3ccc(F)cc3)cc2n1 Show InChI InChI=1S/C19H20FN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	183	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Northwestern University US Patent					Assay Description To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...				US Patent US9212144 (2015) BindingDB Entry DOI: 10.7270/Q2K0732P
					More data for this Ligand-Target Pair