Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50384904'   

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))	BDBM50384904 (CHEMBL2034995) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:6.9,wD:3.2,(18.44,-8.44,;16.9,-8.43,;16.14,-7.09,;16.12,-9.76,;14.58,-9.75,;13.8,-11.08,;14.56,-12.41,;16.11,-12.42,;16.88,-11.1,;13.79,-13.74,;14.7,-14.99,;13.79,-16.25,;12.31,-15.77,;10.98,-16.54,;9.65,-15.77,;9.65,-14.22,;10.98,-13.45,;12.31,-14.22,;8.31,-13.45,;6.98,-14.22,;6.98,-15.76,;5.65,-13.45,;5.63,-11.91,;4.16,-11.46,;3.27,-12.72,;4.2,-13.95,)| Show InChI InChI=1S/C21H26N4S/c1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24)/t14-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubat...				J Med Chem 55: 3488-501 (2012) Article DOI: 10.1021/jm300138g BindingDB Entry DOI: 10.7270/Q2KW5H2V
					More data for this Ligand-Target Pair