Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50058470'   

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))	BDBM50058470 (2-Ethyl-1-(3-trifluoromethyl-phenyl)-isothiourea; ...) Show SMILES CCSC(N)=Nc1cccc(c1)C(F)(F)F |w:5.5| Show InChI InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).				J Med Chem 40: 1901-5 (1997) Article DOI: 10.1021/jm960785c BindingDB Entry DOI: 10.7270/Q2SJ1M94
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50058470 (2-Ethyl-1-(3-trifluoromethyl-phenyl)-isothiourea; ...) Show SMILES CCSC(N)=Nc1cccc(c1)C(F)(F)F |w:5.5| Show InChI InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline				Bioorg Med Chem 16: 6193-206 (2008) Article DOI: 10.1016/j.bmc.2008.04.036 BindingDB Entry DOI: 10.7270/Q2611040
					More data for this Ligand-Target Pair