Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50070068'   

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))	BDBM50070068 (CHEMBL3407805 | US9878996, Compound 2) Show SMILES Fc1cccc(CCN2CCN(CC2)c2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H21FN6/c20-17-3-1-2-16(14-17)5-8-24-10-12-25(13-11-24)18-4-6-22-19(23-18)26-9-7-21-15-26/h1-4,6-7,9,14-15H,5,8,10-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070068 (CHEMBL3407805 | US9878996, Compound 2) Show SMILES Fc1cccc(CCN2CCN(CC2)c2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H21FN6/c20-17-3-1-2-16(14-17)5-8-24-10-12-25(13-11-24)18-4-6-22-19(23-18)26-9-7-21-15-26/h1-4,6-7,9,14-15H,5,8,10-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair