Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50115131'   

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))	BDBM50115131 (6-(4-Chloro-phenyl)-N*4*-cyclohexylmethyl-5,6,7,8-...) Show SMILES Nc1nc(NCC2CCCCC2)c2NC(CNc2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H25ClN6/c20-14-8-6-13(7-9-14)15-11-23-18-16(24-15)17(25-19(21)26-18)22-10-12-4-2-1-3-5-12/h6-9,12,15,24H,1-5,10-11H2,(H4,21,22,23,25,26)	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	3.68E+3	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
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50115131 (6-(4-Chloro-phenyl)-N*4*-cyclohexylmethyl-5,6,7,8-...) Show SMILES Nc1nc(NCC2CCCCC2)c2NC(CNc2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H25ClN6/c20-14-8-6-13(7-9-14)15-11-23-18-16(24-15)17(25-19(21)26-18)22-10-12-4-2-1-3-5-12/h6-9,12,15,24H,1-5,10-11H2,(H4,21,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+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