Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50081585'   

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))	BDBM50081585 (CHEMBL100659 | N*4*,N*4*-Dibenzyl-6-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)-c1cnc2nc(N)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1 Show InChI InChI=1S/C27H24N6O/c1-34-22-14-12-21(13-15-22)23-16-29-25-24(30-23)26(32-27(28)31-25)33(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H2,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)				J Med Chem 45: 2923-41 (2002) BindingDB Entry DOI: 10.7270/Q2571BBK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50081585 (CHEMBL100659 | N*4*,N*4*-Dibenzyl-6-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)-c1cnc2nc(N)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1 Show InChI InChI=1S/C27H24N6O/c1-34-22-14-12-21(13-15-22)23-16-29-25-24(30-23)26(32-27(28)31-25)33(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H2,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Curated by ChEMBL					Assay Description Inhibitory activity against human Nitric oxide synthase-I with 2 uM H4Bip for 30 min				J Med Chem 48: 4783-92 (2005) Article DOI: 10.1021/jm050007x BindingDB Entry DOI: 10.7270/Q28W3CTH
					More data for this Ligand-Target Pair