Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50258603'   

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))	BDBM50258603 (CHEMBL4090184) Show SMILES Nc1ccc2ccc(CNCCc3cccc(c3)C#N)cc2n1 Show InChI InChI=1S/C19H18N4/c20-12-15-3-1-2-14(10-15)8-9-22-13-16-4-5-17-6-7-19(21)23-18(17)11-16/h1-7,10-11,22H,8-9,13H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6 Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay				J Med Chem 60: 7146-7165 (2017) Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50258603 (CHEMBL4090184) Show SMILES Nc1ccc2ccc(CNCCc3cccc(c3)C#N)cc2n1 Show InChI InChI=1S/C19H18N4/c20-12-15-3-1-2-14(10-15)8-9-22-13-16-4-5-17-6-7-19(21)23-18(17)11-16/h1-7,10-11,22H,8-9,13H2,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6 Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay				J Med Chem 60: 7146-7165 (2017) Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64
					More data for this Ligand-Target Pair