Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50325181'   

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))	BDBM50325181 (6-(((3R,4R/3S,4S)-4-(3-(4-Fluorophenoxy)phenoxy)-p...) Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(F)cc3)c2)n1 |r| Show InChI InChI=1S/C22H22FN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	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 by hemoglobin capture assay				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
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